data_7c2p_residue ############################ # Computer software used # ############################ 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 7c2p _Structure_validation_residue.Date_analyzed 2020-09-04 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' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.709 -0.478 . . . . 60.21 109.709 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.0 m -103.17 127.68 50.37 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.118 0.567 . . . . 59.66 111.973 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 m -103.28 147.75 26.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.89 1.276 . . . . 66.85 110.338 177.061 -80.685 64.01 116.525 105.495 2.047 106.876 -78.185 -55.59 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -125.4 150.14 47.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 123.31 0.644 . . . . 69.29 111.912 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -148.96 131.1 15.42 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.902 -1.518 . . . . 49.12 106.902 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.05 129.15 40.76 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 122.071 -0.393 . . . . 54.88 110.421 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 134.32 53.54 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.744 1.218 . . . . 42.63 111.08 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -85.75 -20.02 29.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.887 -0.578 . . . . 55.28 111.308 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -99.82 -31.85 11.31 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 115.912 1.819 . . . . 56.37 115.912 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -65.8 127.18 30.97 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 113.369 0.877 . . . . 43.19 113.369 -175.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -109.37 148.75 30.57 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.61 -0.268 . . . . 63.78 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.13 -173.15 48.92 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.5 -0.318 . . . . 48.94 113.588 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.92 148.35 35.53 Favored 'Trans proline' 0 CA--C 1.511 -0.642 0 N-CA-C 113.715 0.621 . . . . 53.6 113.715 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.9 t -93.92 109.72 21.43 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.49 -1.3 . . . . 61.0 107.49 179.932 -169.932 -85.621 -55.687 107.536 2.051 110.521 -61.412 -53.131 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -107.84 -32.63 7.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.642 -0.423 . . . . 61.48 112.008 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.77 50.18 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.42 -0.956 . . . . 74.74 108.42 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.49 94.59 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.348 1.61 . . . . 51.55 115.348 -177.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.4 p -67.29 -25.86 66.25 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.588 0.588 . . . . 56.25 112.588 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.94 -45.97 76.19 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-O 118.666 -0.683 . . . . 51.52 109.426 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.3 t -57.85 -47.57 82.3 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.55 1.54 . . . . 45.34 108.711 176.651 172.244 55.545 87.994 103.325 2.03 103.963 54.812 165.78 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.71 81.36 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.726 1.21 . . . . 40.98 113.084 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -74.88 -36.99 62.26 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 118.398 0.545 . . . . 51.41 111.01 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.43 -36.12 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 108.683 -0.858 . . . . 41.7 108.683 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.93 -29.13 69.5 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.196 1.398 . . . . 45.16 113.473 179.064 -74.469 -74.055 -80.326 103.212 2.036 102.576 -43.324 -59.329 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -65.77 -35.98 82.23 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.929 -0.397 . . . . 60.09 109.929 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -68.39 -17.44 64.23 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.305 0.642 . . . . 54.29 111.55 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -94.93 5.86 50.69 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.869 1.268 . . . . 56.92 113.019 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.62 13.43 70.17 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 115.379 0.912 . . . . 57.17 115.379 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.24 160.95 14.04 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 117.963 0.882 . . . . 58.17 111.547 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -72.75 -56.07 5.81 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.772 1.229 . . . . 67.57 110.339 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.78 7.67 Favored Glycine 0 C--N 1.346 1.13 0 C-N-CA 124.918 1.247 . . . . 51.61 114.181 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.64 149.89 11.44 Favored Glycine 0 CA--C 1.508 -0.357 0 CA-C-O 119.434 -0.648 . . . . 47.51 112.843 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 146.03 43.85 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.098 0.959 . . . . 66.82 111.48 -177.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 m -78.75 140.14 38.33 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 106.844 -1.539 . . . . 61.03 106.844 173.832 -53.131 -61.412 -55.687 110.521 2.051 107.536 -85.621 -169.932 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -144.17 144.02 31.36 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.202 1.927 . . . . 75.29 116.202 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.91 173.86 38.96 Favored Glycine 0 N--CA 1.46 0.238 0 N-CA-C 116.562 1.385 . . . . 51.83 116.562 173.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -66.48 -31.25 71.87 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.692 0.797 . . . . 57.31 111.303 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -75.86 -6.27 49.99 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 118.449 -0.786 . . . . 71.8 112.899 176.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 56.02 55.09 7.21 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.52 1.528 . . . . 66.5 111.25 178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.61 145.67 24.26 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 120.727 -0.389 . . . . 52.71 111.18 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.7 t -82.95 123.68 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.851 -0.796 . . . . 45.59 108.851 179.928 165.78 54.812 87.994 103.963 2.03 103.325 55.545 172.244 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -113.08 126.89 55.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 119.484 -0.293 . . . . 52.09 111.183 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -81.79 134.84 35.47 Favored 'General case' 0 CA--C 1.491 -1.303 0 C-N-CA 124.059 0.944 . . . . 48.76 110.244 176.671 -59.329 -43.324 -80.326 102.576 2.036 103.212 -74.055 -74.469 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.1 p -115.19 150.66 35.76 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 113.504 0.928 . . . . 54.72 113.504 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -168.08 164.06 13.52 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.278 1.031 . . . . 80.12 111.143 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -63.91 145.2 56.27 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 117.669 0.213 . . . . 74.71 110.696 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.253 1.267 0 N-CA-C 108.528 -0.916 . . . . 71.8 108.528 178.676 -55.59 -78.185 116.525 106.876 2.047 105.495 64.01 -80.685 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 110.959 -0.015 . . . . 62.53 110.959 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 29.2 m -102.91 129.44 49.62 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.512 0.56 . . . . 61.28 112.512 -178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 27.1 m -104.92 146.45 29.01 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.686 0.794 . . . . 72.01 110.63 176.042 -79.123 136.323 -107.516 100.402 2.028 106.854 143.091 -104.757 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -125.15 152.37 44.53 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 124.301 1.04 . . . . 72.92 112.285 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -152.04 130.0 11.77 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.218 -1.401 . . . . 52.15 107.218 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.2 129.47 42.16 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.924 -0.31 . . . . 64.51 111.002 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 42.6 t -56.14 134.38 52.84 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.771 1.229 . . . . 49.23 111.649 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -87.69 -19.27 27.89 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.358 0.411 . . . . 55.76 111.441 175.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -99.84 -32.1 11.18 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.393 1.627 . . . . 61.62 115.393 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.01 128.05 34.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 113.185 0.809 . . . . 47.09 113.185 -176.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -110.31 147.02 34.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.742 0.306 . . . . 59.53 111.354 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 -173.17 48.73 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 114.62 0.608 . . . . 55.54 114.62 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -74.68 149.62 38.57 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-N 117.324 0.562 . . . . 57.87 112.709 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 t -92.55 98.11 11.25 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.579 1.152 . . . . 64.5 109.366 -179.739 -169.683 -81.098 -61.898 107.676 2.049 107.176 -56.965 -54.81 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.49 -37.73 9.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.216 -0.593 . . . . 65.37 111.906 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -111.07 124.56 52.42 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.062 -0.718 . . . . 72.19 109.062 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.69 92.15 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.103 1.361 . . . . 51.25 113.999 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -57.27 -42.94 82.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.851 -0.53 . . . . 51.57 111.44 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -58.34 -47.57 83.33 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.327 0.651 . . . . 42.9 110.383 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 38.4 t -61.51 -53.21 59.46 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 124.326 1.05 . . . . 48.32 108.829 178.862 174.936 60.14 88.183 107.8 2.034 103.645 55.8 167.014 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.8 63.24 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 118.813 0.733 . . . . 42.28 112.663 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -73.29 -35.25 66.11 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 124.255 1.022 . . . . 44.93 111.933 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 t -69.45 -35.41 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.107 -1.071 . . . . 41.54 108.107 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 64.0 m -66.67 -20.86 66.07 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.978 1.711 . . . . 41.96 114.326 178.673 -73.239 -77.744 -73.44 102.606 2.043 105.288 -43.935 -57.574 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.69 -33.48 64.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.751 0.82 . . . . 54.75 109.66 175.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -69.33 -18.51 63.82 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 122.86 0.464 . . . . 48.81 111.532 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -94.3 7.11 46.54 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.958 0.903 . . . . 52.74 112.784 175.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 11.6 71.94 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 114.736 0.655 . . . . 54.4 114.736 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.31 163.12 13.03 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 117.959 0.88 . . . . 59.62 112.308 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -78.6 -44.67 23.47 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 114.002 1.112 . . . . 66.22 114.002 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.96 -161.85 9.94 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 124.046 0.841 . . . . 50.03 112.635 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.71 148.58 11.53 Favored Glycine 0 CA--C 1.503 -0.66 0 N-CA-C 114.426 0.53 . . . . 53.88 114.426 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -136.33 149.32 48.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.548 -0.263 . . . . 77.96 111.673 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.53 141.23 35.33 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 106.709 -1.589 . . . . 64.78 106.709 173.258 -54.81 -56.965 -61.898 107.176 2.049 107.676 -81.098 -169.683 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -143.97 140.0 29.4 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.962 1.838 . . . . 79.06 115.962 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.22 175.53 39.83 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 117.136 1.614 . . . . 53.71 117.136 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.77 -32.11 73.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.626 1.171 . . . . 57.19 111.837 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 39.6 mtp85 -77.2 -5.09 47.9 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 118.347 -0.835 . . . . 80.08 113.084 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 55.79 57.55 5.13 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.839 1.656 . . . . 77.02 112.745 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -91.68 143.3 26.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.232 -0.44 . . . . 71.07 111.54 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.53 123.52 30.38 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.978 -0.749 . . . . 47.71 108.978 178.253 167.014 55.8 88.183 103.645 2.034 107.8 60.14 174.936 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -114.75 127.84 55.97 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 110.625 -0.139 . . . . 49.66 110.625 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.1 m -82.64 134.76 35.16 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 123.46 0.704 . . . . 50.06 110.666 176.249 -57.574 -43.935 -73.44 105.288 2.043 102.606 -77.744 -73.239 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -120.47 147.73 44.74 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 113.334 0.865 . . . . 51.25 113.334 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -160.46 154.95 23.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.885 0.85 . . . . 70.03 110.129 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -57.43 145.59 32.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.237 -0.892 . . . . 66.11 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.256 1.425 0 CA-C-O 117.158 -1.401 . . . . 73.46 110.671 174.92 -104.757 143.091 -107.516 106.854 2.028 100.402 136.323 -79.123 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.304 -0.628 . . . . 51.96 109.304 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m -102.83 127.99 49.78 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.009 0.524 . . . . 52.68 111.852 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 15.9 m -105.2 146.61 29.01 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.788 0.835 . . . . 65.06 109.541 178.234 -81.82 65.318 112.801 106.174 2.043 107.442 -77.147 -56.103 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -124.67 152.62 43.45 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 122.802 0.441 . . . . 68.63 111.334 -176.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -149.79 129.93 13.6 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.304 -1.369 . . . . 47.58 107.304 175.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -59.0 129.16 40.83 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.907 0.384 . . . . 55.34 110.367 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -52.06 133.34 33.14 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 126.138 1.775 . . . . 50.99 111.032 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -89.07 -17.43 29.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 118.689 -0.672 . . . . 52.04 110.971 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -100.58 -35.34 9.55 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 115.198 1.555 . . . . 65.16 115.198 -178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.41 127.49 31.55 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.162 0.801 . . . . 46.46 113.162 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -107.86 146.32 32.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.178 0.436 . . . . 62.21 112.178 178.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.93 -172.67 46.19 Favored Glycine 0 C--O 1.224 -0.472 0 N-CA-C 115.07 0.788 . . . . 54.75 115.07 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.38 146.98 46.08 Favored 'Trans proline' 0 C--O 1.241 0.639 0 N-CA-C 113.785 0.648 . . . . 57.39 113.785 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 7.2 t -76.11 90.09 3.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.189 0.995 . . . . 60.34 108.422 179.264 -160.893 -100.026 -64.476 102.664 2.037 105.93 -58.008 -54.761 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mp -74.1 -43.15 58.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.172 0.589 . . . . 64.75 111.217 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 70.8 mmt-85 -129.27 132.08 47.11 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 122.955 0.502 . . . . 68.84 110.195 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.11 79.54 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.209 0.604 . . . . 49.91 112.269 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 19.1 p -55.66 -32.64 63.38 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.149 1.379 . . . . 49.76 113.218 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -68.75 -40.62 79.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 121.92 -0.487 . . . . 42.92 111.039 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -63.54 -49.34 73.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.371 -0.974 . . . . 42.8 108.371 178.007 164.867 67.556 78.579 102.478 2.048 105.883 59.805 163.077 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.15 62.22 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.081 1.753 . . . . 40.37 111.48 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -77.04 -38.51 52.64 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 112.113 0.412 . . . . 42.73 112.113 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.1 -34.71 68.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-N 118.002 0.364 . . . . 35.54 110.303 174.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' CYS . . . . . . . . . . . . . 88.2 m -71.33 -23.72 61.98 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.085 1.143 . . . . 39.95 114.085 -179.502 -67.995 -84.932 -70.628 99.538 2.059 106.14 -45.231 -56.72 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -67.47 -33.94 76.16 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.542 0.526 . . . . 49.53 110.358 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' THR . . . . . . . . . . . . . 11.5 m -67.19 -21.73 65.77 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.848 1.659 . . . . 45.37 111.073 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -93.84 5.53 51.36 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.155 0.982 . . . . 55.88 113.24 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.11 14.96 68.05 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 124.073 0.844 . . . . 42.75 114.613 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -98.33 164.2 12.39 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 117.538 0.669 . . . . 41.66 111.349 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -81.32 -40.34 23.75 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.186 0.809 . . . . 58.5 113.186 -175.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.78 -159.4 8.78 Favored Glycine 0 CA--C 1.494 -1.224 0 CA-C-N 114.984 -1.007 . . . . 45.5 111.042 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.76 157.76 28.19 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 125.245 1.402 . . . . 45.33 111.272 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -146.72 146.62 30.38 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 124.274 1.029 . . . . 66.26 111.048 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -77.89 142.78 38.24 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 106.853 -1.536 . . . . 60.74 106.853 173.34 -54.761 -58.008 -64.476 105.93 2.037 102.664 -100.026 -160.893 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -146.37 143.17 28.9 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.458 1.651 . . . . 82.25 115.458 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.33 170.49 39.55 Favored Glycine 0 C--O 1.241 0.537 0 N-CA-C 115.894 1.118 . . . . 57.11 115.894 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -66.3 -32.81 74.44 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.635 0.774 . . . . 59.56 110.722 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -75.27 -6.0 47.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-O 118.021 -0.99 . . . . 83.83 112.908 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 59.06 59.54 2.73 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.201 1.4 . . . . 78.82 113.357 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -89.62 150.4 22.4 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.531 -0.304 . . . . 76.46 110.878 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.44 122.97 35.4 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.532 -0.914 . . . . 44.9 108.532 176.26 163.077 59.805 78.579 105.883 2.048 102.478 67.556 164.867 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -113.19 126.08 55.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 122.425 -0.172 . . . . 47.55 111.225 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.68 134.89 35.52 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 124.007 0.923 . . . . 42.02 110.217 176.559 -56.72 -45.231 -70.628 106.14 2.059 99.538 -84.932 -67.995 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.8 p -119.43 147.68 44.11 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.76 0.652 . . . . 46.35 112.76 -177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -162.23 163.1 28.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.957 . . . . 69.54 110.205 175.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -62.51 144.49 55.96 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 121.064 -0.255 . . . . 75.47 111.217 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 C--O 1.252 1.218 0 N-CA-C 108.19 -1.041 . . . . 67.93 108.19 178.479 -56.103 -77.147 112.801 107.442 2.043 106.174 65.318 -81.82 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 109.314 -0.624 . . . . 53.75 109.314 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m -101.2 127.39 47.8 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 112.817 0.673 . . . . 59.37 112.817 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -104.51 147.13 27.93 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.606 0.763 . . . . 65.35 108.947 178.184 -80.8 62.567 116.954 107.037 2.038 106.166 -78.347 -54.168 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -124.48 151.42 44.6 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 123.892 0.877 . . . . 72.59 111.878 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -150.32 129.92 13.12 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.911 -1.514 . . . . 45.62 106.911 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -57.06 128.56 37.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 120.583 -0.447 . . . . 51.67 110.599 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -55.1 134.19 49.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 125.273 1.429 . . . . 43.69 111.47 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -87.05 -18.04 31.5 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 118.971 -0.538 . . . . 50.7 111.174 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -104.04 -31.92 9.46 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.332 1.234 . . . . 61.38 114.332 -175.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.11 127.89 33.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.667 0.988 . . . . 43.29 113.667 -176.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -111.82 147.98 34.55 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.968 0.413 . . . . 51.51 111.233 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.94 -170.06 53.28 Favored Glycine 0 C--N 1.321 -0.293 0 CA-C-N 116.17 -0.468 . . . . 52.89 113.745 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -76.68 145.55 26.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 CA-C-O 121.621 0.592 . . . . 56.05 113.213 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 t -92.27 107.07 18.94 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 105.743 -1.947 . . . . 62.65 105.743 179.124 -169.836 -85.637 -58.52 105.521 2.053 110.351 -58.531 -53.48 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -103.1 -35.03 8.66 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 123.168 0.293 . . . . 61.41 111.423 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -113.41 123.38 49.94 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.124 -0.695 . . . . 68.94 109.124 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.75 81.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.246 1.573 . . . . 52.5 115.246 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' SER . . . . . . . . . . . . . 19.8 p -68.08 -23.8 64.98 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.54 1.064 . . . . 50.26 112.727 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -69.11 -49.28 58.58 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 107.965 -1.124 . . . . 42.76 107.965 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 18.2 t -55.1 -48.59 73.37 Favored 'General case' 0 CA--C 1.562 1.432 0 O-C-N 121.641 -0.662 . . . . 42.37 109.432 174.813 170.96 65.177 80.794 103.303 2.034 106.877 60.027 164.313 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.97 70.86 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.391 1.477 . . . . 39.05 112.038 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -78.79 -43.32 25.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.298 -0.858 . . . . 45.51 112.194 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' VAL . . . . . 0.428 ' O ' ' OG1' ' D' ' 26' ' ' THR . 55.6 t -55.35 -44.53 75.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 119.626 1.103 . . . . 38.44 110.519 174.579 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.8 -28.77 69.7 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 116.174 -1.869 . . . . 39.74 115.07 177.969 -66.414 -82.592 -73.89 100.571 2.025 105.534 -46.555 -58.253 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -65.45 -33.95 77.15 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.988 1.722 . . . . 59.77 110.708 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' D' ' 23' ' ' VAL . 25.4 p -67.21 -19.76 65.6 Favored 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 124.421 1.089 . . . . 48.66 111.073 175.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -95.05 4.99 53.13 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.177 0.991 . . . . 54.34 112.973 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 13.4 65.82 Favored Glycine 0 C--O 1.222 -0.595 0 C-N-CA 124.5 1.048 . . . . 46.37 114.027 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -96.9 165.87 11.89 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.33 1.065 . . . . 45.59 112.008 -179.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -81.89 -43.88 17.58 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.912 0.863 . . . . 62.47 112.507 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.21 -160.6 9.24 Favored Glycine 0 CA--C 1.485 -1.788 0 CA-C-N 114.81 -1.087 . . . . 42.3 112.192 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.65 159.87 32.27 Favored Glycine 0 C--N 1.303 -1.257 0 CA-C-N 114.316 -0.942 . . . . 41.51 112.346 -176.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -150.38 144.45 25.48 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.328 0.651 . . . . 68.79 110.963 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' CYS . . . . . . . . . . . . . 55.2 m -78.51 140.76 38.53 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 106.389 -1.708 . . . . 63.47 106.389 174.723 -53.48 -58.531 -58.52 110.351 2.053 105.521 -85.637 -169.836 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.33 142.79 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 115.652 1.723 . . . . 79.07 115.652 -178.107 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.07 172.31 36.62 Favored Glycine 0 C--N 1.322 -0.209 0 N-CA-C 116.921 1.528 . . . . 52.74 116.921 175.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -66.13 -34.2 77.51 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 117.255 0.527 . . . . 56.37 110.797 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mtp85 -67.31 -9.57 42.3 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 118.202 -0.904 . . . . 83.11 113.06 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 59.96 52.98 4.9 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 126.129 1.772 . . . . 80.43 111.642 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' ARG . . . . . . . . . . . . . 4.5 mmt85 -92.81 149.81 21.04 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.458 0.54 . . . . 65.99 112.458 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.83 122.87 33.3 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 123.333 0.653 . . . . 41.72 110.564 -177.191 164.313 60.027 80.794 106.877 2.034 103.303 65.177 170.96 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -112.17 125.8 54.52 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 123.135 0.272 . . . . 48.78 111.35 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' CYS . . . . . . . . . . . . . 68.9 m -81.48 137.1 35.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.73 0.812 . . . . 41.7 109.787 176.754 -58.253 -46.555 -73.89 105.534 2.025 100.571 -82.592 -66.414 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -121.81 148.62 44.44 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 112.467 0.543 . . . . 45.66 112.467 -178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -164.44 163.03 22.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 124.1 0.96 . . . . 65.06 109.648 176.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -63.05 144.37 56.96 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 121.235 -0.186 . . . . 66.85 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' CYS . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.252 1.232 0 N-CA-C 108.701 -0.851 . . . . 65.9 108.701 178.413 -54.168 -78.347 116.954 106.166 2.038 107.037 62.567 -80.8 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.709 -0.478 . . . . 60.21 109.709 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.0 m -103.17 127.68 50.37 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.118 0.567 . . . . 59.66 111.973 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' B' ' 3' ' ' CYS . 19.9 m -103.28 147.75 26.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.89 1.276 . . . . 66.85 110.338 177.061 -80.685 64.01 116.525 105.495 2.047 106.876 -78.185 -55.59 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -125.4 150.14 47.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 123.31 0.644 . . . . 69.29 111.912 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -148.96 131.1 15.42 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.902 -1.518 . . . . 49.12 106.902 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.05 129.15 40.76 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 122.071 -0.393 . . . . 54.88 110.421 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 134.32 53.54 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.744 1.218 . . . . 42.63 111.08 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -85.75 -20.02 29.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.887 -0.578 . . . . 55.28 111.308 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -99.82 -31.85 11.31 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 115.912 1.819 . . . . 56.37 115.912 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -65.8 127.18 30.97 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 113.369 0.877 . . . . 43.19 113.369 -175.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -109.37 148.75 30.57 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.61 -0.268 . . . . 63.78 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.13 -173.15 48.92 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.5 -0.318 . . . . 48.94 113.588 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.92 148.35 35.53 Favored 'Trans proline' 0 CA--C 1.511 -0.642 0 N-CA-C 113.715 0.621 . . . . 53.6 113.715 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 28.9 t -93.92 109.72 21.43 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.49 -1.3 . . . . 61.0 107.49 179.932 -169.932 -85.621 -55.687 107.536 2.051 110.521 -61.412 -53.131 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD11 HH11 ' A' ' 39' ' ' ARG . 2.1 mm? -107.84 -32.63 7.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.642 -0.423 . . . . 61.48 112.008 178.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.77 50.18 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.42 -0.956 . . . . 74.74 108.42 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.49 94.59 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.348 1.61 . . . . 51.55 115.348 -177.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.4 p -67.29 -25.86 66.25 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.588 0.588 . . . . 56.25 112.588 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.94 -45.97 76.19 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-O 118.666 -0.683 . . . . 51.52 109.426 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 26.3 t -57.85 -47.57 82.3 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.55 1.54 . . . . 45.34 108.711 176.651 172.244 55.545 87.994 103.325 2.03 103.963 54.812 165.78 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.71 81.36 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.726 1.21 . . . . 40.98 113.084 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -74.88 -36.99 62.26 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 118.398 0.545 . . . . 51.41 111.01 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.43 -36.12 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 108.683 -0.858 . . . . 41.7 108.683 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.93 -29.13 69.5 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.196 1.398 . . . . 45.16 113.473 179.064 -74.469 -74.055 -80.326 103.212 2.036 102.576 -43.324 -59.329 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -65.77 -35.98 82.23 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.929 -0.397 . . . . 60.09 109.929 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -68.39 -17.44 64.23 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.305 0.642 . . . . 54.29 111.55 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -94.93 5.86 50.69 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.869 1.268 . . . . 56.92 113.019 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.62 13.43 70.17 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 115.379 0.912 . . . . 57.17 115.379 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.24 160.95 14.04 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 117.963 0.882 . . . . 58.17 111.547 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -72.75 -56.07 5.81 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.772 1.229 . . . . 67.57 110.339 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.78 7.67 Favored Glycine 0 C--N 1.346 1.13 0 C-N-CA 124.918 1.247 . . . . 51.61 114.181 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.64 149.89 11.44 Favored Glycine 0 CA--C 1.508 -0.357 0 CA-C-O 119.434 -0.648 . . . . 47.51 112.843 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 146.03 43.85 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.098 0.959 . . . . 66.82 111.48 -177.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 m -78.75 140.14 38.33 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 106.844 -1.539 . . . . 61.03 106.844 173.832 -53.131 -61.412 -55.687 110.521 2.051 107.536 -85.621 -169.932 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -144.17 144.02 31.36 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.202 1.927 . . . . 75.29 116.202 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.91 173.86 38.96 Favored Glycine 0 N--CA 1.46 0.238 0 N-CA-C 116.562 1.385 . . . . 51.83 116.562 173.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -66.48 -31.25 71.87 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.692 0.797 . . . . 57.31 111.303 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' HD3' HH21 ' A' ' 40' ' ' ARG . 7.2 mtp85 -75.86 -6.27 49.99 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 118.449 -0.786 . . . . 71.8 112.899 176.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 HD11 ' A' ' 15' ' ' LEU . 85.2 mtm180 56.02 55.09 7.21 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.52 1.528 . . . . 66.5 111.25 178.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . 0.478 HH21 ' HD3' ' A' ' 38' ' ' ARG . 95.2 mtt180 -92.61 145.67 24.26 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 120.727 -0.389 . . . . 52.71 111.18 -179.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.7 t -82.95 123.68 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.851 -0.796 . . . . 45.59 108.851 179.928 165.78 54.812 87.994 103.963 2.03 103.325 55.545 172.244 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -113.08 126.89 55.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 119.484 -0.293 . . . . 52.09 111.183 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -81.79 134.84 35.47 Favored 'General case' 0 CA--C 1.491 -1.303 0 C-N-CA 124.059 0.944 . . . . 48.76 110.244 176.671 -59.329 -43.324 -80.326 102.576 2.036 103.212 -74.055 -74.469 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.1 p -115.19 150.66 35.76 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 113.504 0.928 . . . . 54.72 113.504 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HE2' ' SG ' ' B' ' 47' ' ' CYS . 33.0 pttt -168.08 164.06 13.52 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.278 1.031 . . . . 80.12 111.143 174.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -63.91 145.2 56.27 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 117.669 0.213 . . . . 74.71 110.696 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.253 1.267 0 N-CA-C 108.528 -0.916 . . . . 71.8 108.528 178.676 -55.59 -78.185 116.525 106.876 2.047 105.495 64.01 -80.685 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 110.959 -0.015 . . . . 62.53 110.959 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 29.2 m -102.91 129.44 49.62 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.512 0.56 . . . . 61.28 112.512 -178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 27.1 m -104.92 146.45 29.01 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.686 0.794 . . . . 72.01 110.63 176.042 -79.123 136.323 -107.516 100.402 2.028 106.854 143.091 -104.757 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLU . . . . . 0.565 ' HG2' HG22 ' B' ' 44' ' ' THR . 73.6 mt-10 -125.15 152.37 44.53 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 124.301 1.04 . . . . 72.92 112.285 -176.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -152.04 130.0 11.77 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.218 -1.401 . . . . 52.15 107.218 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.2 129.47 42.16 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.924 -0.31 . . . . 64.51 111.002 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 42.6 t -56.14 134.38 52.84 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.771 1.229 . . . . 49.23 111.649 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -87.69 -19.27 27.89 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.358 0.411 . . . . 55.76 111.441 175.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -99.84 -32.1 11.18 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.393 1.627 . . . . 61.62 115.393 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.01 128.05 34.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 113.185 0.809 . . . . 47.09 113.185 -176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -110.31 147.02 34.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.742 0.306 . . . . 59.53 111.354 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 -173.17 48.73 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 114.62 0.608 . . . . 55.54 114.62 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -74.68 149.62 38.57 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-N 117.324 0.562 . . . . 57.87 112.709 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 t -92.55 98.11 11.25 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.579 1.152 . . . . 64.5 109.366 -179.739 -169.683 -81.098 -61.898 107.676 2.049 107.176 -56.965 -54.81 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.49 -37.73 9.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.216 -0.593 . . . . 65.37 111.906 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -111.07 124.56 52.42 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.062 -0.718 . . . . 72.19 109.062 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.69 92.15 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.103 1.361 . . . . 51.25 113.999 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -57.27 -42.94 82.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.851 -0.53 . . . . 51.57 111.44 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -58.34 -47.57 83.33 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.327 0.651 . . . . 42.9 110.383 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 38.4 t -61.51 -53.21 59.46 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 124.326 1.05 . . . . 48.32 108.829 178.862 174.936 60.14 88.183 107.8 2.034 103.645 55.8 167.014 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.8 63.24 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 118.813 0.733 . . . . 42.28 112.663 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -73.29 -35.25 66.11 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 124.255 1.022 . . . . 44.93 111.933 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 t -69.45 -35.41 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.107 -1.071 . . . . 41.54 108.107 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 64.0 m -66.67 -20.86 66.07 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.978 1.711 . . . . 41.96 114.326 178.673 -73.239 -77.744 -73.44 102.606 2.043 105.288 -43.935 -57.574 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.69 -33.48 64.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.751 0.82 . . . . 54.75 109.66 175.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -69.33 -18.51 63.82 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 122.86 0.464 . . . . 48.81 111.532 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -94.3 7.11 46.54 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.958 0.903 . . . . 52.74 112.784 175.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 11.6 71.94 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 114.736 0.655 . . . . 54.4 114.736 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.31 163.12 13.03 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 117.959 0.88 . . . . 59.62 112.308 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -78.6 -44.67 23.47 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 114.002 1.112 . . . . 66.22 114.002 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.96 -161.85 9.94 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 124.046 0.841 . . . . 50.03 112.635 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.71 148.58 11.53 Favored Glycine 0 CA--C 1.503 -0.66 0 N-CA-C 114.426 0.53 . . . . 53.88 114.426 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -136.33 149.32 48.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.548 -0.263 . . . . 77.96 111.673 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.53 141.23 35.33 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 106.709 -1.589 . . . . 64.78 106.709 173.258 -54.81 -56.965 -61.898 107.176 2.049 107.676 -81.098 -169.683 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -143.97 140.0 29.4 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.962 1.838 . . . . 79.06 115.962 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.22 175.53 39.83 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 117.136 1.614 . . . . 53.71 117.136 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.77 -32.11 73.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.626 1.171 . . . . 57.19 111.837 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . 0.648 ' HE ' HH21 ' B' ' 40' ' ' ARG . 39.6 mtp85 -77.2 -5.09 47.9 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 118.347 -0.835 . . . . 80.08 113.084 177.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 55.79 57.55 5.13 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.839 1.656 . . . . 77.02 112.745 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ARG . . . . . 0.648 HH21 ' HE ' ' B' ' 38' ' ' ARG . 8.9 mmt85 -91.68 143.3 26.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.232 -0.44 . . . . 71.07 111.54 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.53 123.52 30.38 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.978 -0.749 . . . . 47.71 108.978 178.253 167.014 55.8 88.183 103.645 2.034 107.8 60.14 174.936 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -114.75 127.84 55.97 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 110.625 -0.139 . . . . 49.66 110.625 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.1 m -82.64 134.76 35.16 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 123.46 0.704 . . . . 50.06 110.666 176.249 -57.574 -43.935 -73.44 105.288 2.043 102.606 -77.744 -73.239 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' THR . . . . . 0.565 HG22 ' HG2' ' B' ' 4' ' ' GLU . 66.9 p -120.47 147.73 44.74 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 113.334 0.865 . . . . 51.25 113.334 -178.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -160.46 154.95 23.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.885 0.85 . . . . 70.03 110.129 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -57.43 145.59 32.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.237 -0.892 . . . . 66.11 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' CYS . . . . . 0.438 ' SG ' ' HE2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.256 1.425 0 CA-C-O 117.158 -1.401 . . . . 73.46 110.671 174.92 -104.757 143.091 -107.516 106.854 2.028 100.402 136.323 -79.123 2 2 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.304 -0.628 . . . . 51.96 109.304 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m -102.83 127.99 49.78 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.009 0.524 . . . . 52.68 111.852 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 15.9 m -105.2 146.61 29.01 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.788 0.835 . . . . 65.06 109.541 178.234 -81.82 65.318 112.801 106.174 2.043 107.442 -77.147 -56.103 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . 0.564 ' HG2' HG22 ' C' ' 44' ' ' THR . 76.9 mt-10 -124.67 152.62 43.45 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 122.802 0.441 . . . . 68.63 111.334 -176.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -149.79 129.93 13.6 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.304 -1.369 . . . . 47.58 107.304 175.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -59.0 129.16 40.83 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.907 0.384 . . . . 55.34 110.367 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -52.06 133.34 33.14 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 126.138 1.775 . . . . 50.99 111.032 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -89.07 -17.43 29.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 118.689 -0.672 . . . . 52.04 110.971 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LYS . . . . . 0.608 ' NZ ' HG22 ' C' ' 26' ' ' THR . 78.9 mttt -100.58 -35.34 9.55 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 115.198 1.555 . . . . 65.16 115.198 -178.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.41 127.49 31.55 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.162 0.801 . . . . 46.46 113.162 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -107.86 146.32 32.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.178 0.436 . . . . 62.21 112.178 178.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.93 -172.67 46.19 Favored Glycine 0 C--O 1.224 -0.472 0 N-CA-C 115.07 0.788 . . . . 54.75 115.07 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.38 146.98 46.08 Favored 'Trans proline' 0 C--O 1.241 0.639 0 N-CA-C 113.785 0.648 . . . . 57.39 113.785 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 7.2 t -76.11 90.09 3.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.189 0.995 . . . . 60.34 108.422 179.264 -160.893 -100.026 -64.476 102.664 2.037 105.93 -58.008 -54.761 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mp -74.1 -43.15 58.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.172 0.589 . . . . 64.75 111.217 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 70.8 mmt-85 -129.27 132.08 47.11 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 122.955 0.502 . . . . 68.84 110.195 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.11 79.54 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.209 0.604 . . . . 49.91 112.269 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 19.1 p -55.66 -32.64 63.38 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.149 1.379 . . . . 49.76 113.218 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -68.75 -40.62 79.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 121.92 -0.487 . . . . 42.92 111.039 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -63.54 -49.34 73.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.371 -0.974 . . . . 42.8 108.371 178.007 164.867 67.556 78.579 102.478 2.048 105.883 59.805 163.077 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.15 62.22 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.081 1.753 . . . . 40.37 111.48 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -77.04 -38.51 52.64 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 112.113 0.412 . . . . 42.73 112.113 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.1 -34.71 68.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-N 118.002 0.364 . . . . 35.54 110.303 174.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' CYS . . . . . . . . . . . . . 88.2 m -71.33 -23.72 61.98 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.085 1.143 . . . . 39.95 114.085 -179.502 -67.995 -84.932 -70.628 99.538 2.059 106.14 -45.231 -56.72 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -67.47 -33.94 76.16 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.542 0.526 . . . . 49.53 110.358 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' THR . . . . . 0.608 HG22 ' NZ ' ' C' ' 9' ' ' LYS . 11.5 m -67.19 -21.73 65.77 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.848 1.659 . . . . 45.37 111.073 176.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -93.84 5.53 51.36 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.155 0.982 . . . . 55.88 113.24 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.11 14.96 68.05 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 124.073 0.844 . . . . 42.75 114.613 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -98.33 164.2 12.39 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 117.538 0.669 . . . . 41.66 111.349 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -81.32 -40.34 23.75 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.186 0.809 . . . . 58.5 113.186 -175.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.78 -159.4 8.78 Favored Glycine 0 CA--C 1.494 -1.224 0 CA-C-N 114.984 -1.007 . . . . 45.5 111.042 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.76 157.76 28.19 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 125.245 1.402 . . . . 45.33 111.272 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -146.72 146.62 30.38 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 124.274 1.029 . . . . 66.26 111.048 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -77.89 142.78 38.24 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 106.853 -1.536 . . . . 60.74 106.853 173.34 -54.761 -58.008 -64.476 105.93 2.037 102.664 -100.026 -160.893 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -146.37 143.17 28.9 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.458 1.651 . . . . 82.25 115.458 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.33 170.49 39.55 Favored Glycine 0 C--O 1.241 0.537 0 N-CA-C 115.894 1.118 . . . . 57.11 115.894 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -66.3 -32.81 74.44 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.635 0.774 . . . . 59.56 110.722 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -75.27 -6.0 47.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-O 118.021 -0.99 . . . . 83.83 112.908 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 59.06 59.54 2.73 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.201 1.4 . . . . 78.82 113.357 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -89.62 150.4 22.4 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.531 -0.304 . . . . 76.46 110.878 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.44 122.97 35.4 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.532 -0.914 . . . . 44.9 108.532 176.26 163.077 59.805 78.579 105.883 2.048 102.478 67.556 164.867 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -113.19 126.08 55.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 122.425 -0.172 . . . . 47.55 111.225 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.68 134.89 35.52 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 124.007 0.923 . . . . 42.02 110.217 176.559 -56.72 -45.231 -70.628 106.14 2.059 99.538 -84.932 -67.995 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' THR . . . . . 0.564 HG22 ' HG2' ' C' ' 4' ' ' GLU . 60.8 p -119.43 147.68 44.11 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.76 0.652 . . . . 46.35 112.76 -177.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -162.23 163.1 28.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.957 . . . . 69.54 110.205 175.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -62.51 144.49 55.96 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 121.064 -0.255 . . . . 75.47 111.217 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 C--O 1.252 1.218 0 N-CA-C 108.19 -1.041 . . . . 67.93 108.19 178.479 -56.103 -77.147 112.801 107.442 2.043 106.174 65.318 -81.82 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 109.314 -0.624 . . . . 53.75 109.314 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m -101.2 127.39 47.8 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 112.817 0.673 . . . . 59.37 112.817 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -104.51 147.13 27.93 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.606 0.763 . . . . 65.35 108.947 178.184 -80.8 62.567 116.954 107.037 2.038 106.166 -78.347 -54.168 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLU . . . . . 0.564 ' HG2' HG22 ' D' ' 44' ' ' THR . 71.0 mt-10 -124.48 151.42 44.6 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 123.892 0.877 . . . . 72.59 111.878 -178.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -150.32 129.92 13.12 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.911 -1.514 . . . . 45.62 106.911 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -57.06 128.56 37.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 120.583 -0.447 . . . . 51.67 110.599 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -55.1 134.19 49.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 125.273 1.429 . . . . 43.69 111.47 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -87.05 -18.04 31.5 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 118.971 -0.538 . . . . 50.7 111.174 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -104.04 -31.92 9.46 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.332 1.234 . . . . 61.38 114.332 -175.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.11 127.89 33.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.667 0.988 . . . . 43.29 113.667 -176.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -111.82 147.98 34.55 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.968 0.413 . . . . 51.51 111.233 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.94 -170.06 53.28 Favored Glycine 0 C--N 1.321 -0.293 0 CA-C-N 116.17 -0.468 . . . . 52.89 113.745 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -76.68 145.55 26.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 CA-C-O 121.621 0.592 . . . . 56.05 113.213 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' D' ' 20' ' ' CYS . 28.1 t -92.27 107.07 18.94 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 105.743 -1.947 . . . . 62.65 105.743 179.124 -169.836 -85.637 -58.52 105.521 2.053 110.351 -58.531 -53.48 2 2 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -103.1 -35.03 8.66 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 123.168 0.293 . . . . 61.41 111.423 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -113.41 123.38 49.94 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.124 -0.695 . . . . 68.94 109.124 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.75 81.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.246 1.573 . . . . 52.5 115.246 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' SER . . . . . . . . . . . . . 19.8 p -68.08 -23.8 64.98 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.54 1.064 . . . . 50.26 112.727 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -69.11 -49.28 58.58 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 107.965 -1.124 . . . . 42.76 107.965 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' SG ' ' D' ' 14' ' ' CYS . 18.2 t -55.1 -48.59 73.37 Favored 'General case' 0 CA--C 1.562 1.432 0 O-C-N 121.641 -0.662 . . . . 42.37 109.432 174.813 170.96 65.177 80.794 103.303 2.034 106.877 60.027 164.313 2 2 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.97 70.86 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.391 1.477 . . . . 39.05 112.038 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -78.79 -43.32 25.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.298 -0.858 . . . . 45.51 112.194 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.35 -44.53 75.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 119.626 1.103 . . . . 38.44 110.519 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.8 -28.77 69.7 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 116.174 -1.869 . . . . 39.74 115.07 177.969 -66.414 -82.592 -73.89 100.571 2.025 105.534 -46.555 -58.253 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -65.45 -33.95 77.15 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.988 1.722 . . . . 59.77 110.708 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' THR . . . . . . . . . . . . . 25.4 p -67.21 -19.76 65.6 Favored 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 124.421 1.089 . . . . 48.66 111.073 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -95.05 4.99 53.13 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.177 0.991 . . . . 54.34 112.973 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 13.4 65.82 Favored Glycine 0 C--O 1.222 -0.595 0 C-N-CA 124.5 1.048 . . . . 46.37 114.027 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -96.9 165.87 11.89 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.33 1.065 . . . . 45.59 112.008 -179.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -81.89 -43.88 17.58 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.912 0.863 . . . . 62.47 112.507 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.21 -160.6 9.24 Favored Glycine 0 CA--C 1.485 -1.788 0 CA-C-N 114.81 -1.087 . . . . 42.3 112.192 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.65 159.87 32.27 Favored Glycine 0 C--N 1.303 -1.257 0 CA-C-N 114.316 -0.942 . . . . 41.51 112.346 -176.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -150.38 144.45 25.48 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.328 0.651 . . . . 68.79 110.963 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' CYS . . . . . . . . . . . . . 55.2 m -78.51 140.76 38.53 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 106.389 -1.708 . . . . 63.47 106.389 174.723 -53.48 -58.531 -58.52 110.351 2.053 105.521 -85.637 -169.836 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.33 142.79 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 115.652 1.723 . . . . 79.07 115.652 -178.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.07 172.31 36.62 Favored Glycine 0 C--N 1.322 -0.209 0 N-CA-C 116.921 1.528 . . . . 52.74 116.921 175.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -66.13 -34.2 77.51 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 117.255 0.527 . . . . 56.37 110.797 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' ARG . . . . . 0.456 ' HE ' HH21 ' D' ' 40' ' ' ARG . 30.9 mtp85 -67.31 -9.57 42.3 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 118.202 -0.904 . . . . 83.11 113.06 177.303 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 39' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 59.96 52.98 4.9 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 126.129 1.772 . . . . 80.43 111.642 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' ARG . . . . . 0.456 HH21 ' HE ' ' D' ' 38' ' ' ARG . 4.5 mmt85 -92.81 149.81 21.04 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.458 0.54 . . . . 65.99 112.458 -178.143 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.83 122.87 33.3 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 123.333 0.653 . . . . 41.72 110.564 -177.191 164.313 60.027 80.794 106.877 2.034 103.303 65.177 170.96 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -112.17 125.8 54.52 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 123.135 0.272 . . . . 48.78 111.35 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 43' ' ' CYS . . . . . . . . . . . . . 68.9 m -81.48 137.1 35.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.73 0.812 . . . . 41.7 109.787 176.754 -58.253 -46.555 -73.89 105.534 2.025 100.571 -82.592 -66.414 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' THR . . . . . 0.564 HG22 ' HG2' ' D' ' 4' ' ' GLU . 82.3 p -121.81 148.62 44.44 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 112.467 0.543 . . . . 45.66 112.467 -178.331 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -164.44 163.03 22.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 124.1 0.96 . . . . 65.06 109.648 176.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -63.05 144.37 56.96 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 121.235 -0.186 . . . . 66.85 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' CYS . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.252 1.232 0 N-CA-C 108.701 -0.851 . . . . 65.9 108.701 178.413 -54.168 -78.347 116.954 106.166 2.038 107.037 62.567 -80.8 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 109.709 -0.478 . . . . 60.210000000000001 109.709 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.0 m -103.17 127.68 50.37 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.118 0.567 . . . . 59.659999999999997 111.973 -179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' B' ' 3' ' ' CYS . 19.9 m -103.28 147.75 26.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.89 1.276 . . . . 66.849999999999994 110.338 177.061 -80.685 64.01 116.525 105.495 2.047 106.876 -78.185 -55.59 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -125.4 150.14 47.52 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 123.31 0.644 . . . . 69.290000000000006 111.912 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -148.96 131.1 15.42 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 106.902 -1.518 . . . . 49.119999999999997 106.902 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -59.05 129.15 40.76 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 122.071 -0.393 . . . . 54.880000000000003 110.421 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 134.32 53.54 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 124.744 1.218 . . . . 42.630000000000003 111.08 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -85.75 -20.02 29.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 118.887 -0.578 . . . . 55.280000000000001 111.308 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -99.82 -31.85 11.31 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 115.912 1.819 . . . . 56.369999999999997 115.912 -176.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -65.8 127.18 30.97 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 113.369 0.877 . . . . 43.189999999999998 113.369 -175.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -109.37 148.75 30.57 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.61 -0.268 . . . . 63.780000000000001 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.13 -173.15 48.92 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 116.5 -0.318 . . . . 48.939999999999998 113.588 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -74.92 148.35 35.53 Favored 'Trans proline' 0 CA--C 1.511 -0.642 0 N-CA-C 113.715 0.621 . . . . 53.600000000000001 113.715 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 28.9 t -93.92 109.72 21.43 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.49 -1.3 . . . . 61.0 107.49 179.932 -169.932 -85.621 -55.687 107.536 2.051 110.521 -61.412 -53.131 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD11 HH11 ' A' ' 39' ' ' ARG . 2.1 mm? -107.84 -32.63 7.53 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.642 -0.423 . . . . 61.479999999999997 112.008 178.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.6 123.77 50.18 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.42 -0.956 . . . . 74.739999999999995 108.42 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.49 94.59 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 115.348 1.61 . . . . 51.549999999999997 115.348 -177.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.4 p -67.29 -25.86 66.25 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 112.588 0.588 . . . . 56.25 112.588 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -66.94 -45.97 76.19 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-O 118.666 -0.683 . . . . 51.520000000000003 109.426 175.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 26.3 t -57.85 -47.57 82.3 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.55 1.54 . . . . 45.340000000000003 108.711 176.651 172.244 55.545 87.994 103.325 2.03 103.963 54.812 165.78 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.71 81.36 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 124.726 1.21 . . . . 40.979999999999997 113.084 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -74.88 -36.99 62.26 Favored 'General case' 0 C--O 1.248 1.003 0 CA-C-N 118.398 0.545 . . . . 51.409999999999997 111.01 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.4 t -67.43 -36.12 75.49 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.492 0 N-CA-C 108.683 -0.858 . . . . 41.700000000000003 108.683 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.2 m -65.93 -29.13 69.5 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.196 1.398 . . . . 45.159999999999997 113.473 179.064 -74.469 -74.055 -80.326 103.212 2.036 102.576 -43.324 -59.329 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -65.77 -35.98 82.23 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.929 -0.397 . . . . 60.090000000000003 109.929 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 p -68.39 -17.44 64.23 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.305 0.642 . . . . 54.289999999999999 111.55 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -94.93 5.86 50.69 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.869 1.268 . . . . 56.920000000000002 113.019 174.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.62 13.43 70.17 Favored Glycine 0 C--N 1.334 0.433 0 N-CA-C 115.379 0.912 . . . . 57.170000000000002 115.379 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -97.24 160.95 14.04 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 117.963 0.882 . . . . 58.170000000000002 111.547 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -72.75 -56.07 5.81 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.772 1.229 . . . . 67.569999999999993 110.339 -178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.16 -158.78 7.67 Favored Glycine 0 C--N 1.346 1.13 0 C-N-CA 124.918 1.247 . . . . 51.609999999999999 114.181 -178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.64 149.89 11.44 Favored Glycine 0 CA--C 1.508 -0.357 0 CA-C-O 119.434 -0.648 . . . . 47.509999999999998 112.843 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 146.03 43.85 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.098 0.959 . . . . 66.819999999999993 111.48 -177.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.8 m -78.75 140.14 38.33 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 106.844 -1.539 . . . . 61.030000000000001 106.844 173.832 -53.131 -61.412 -55.687 110.521 2.051 107.536 -85.621 -169.932 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -144.17 144.02 31.36 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 116.202 1.927 . . . . 75.290000000000006 116.202 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.91 173.86 38.96 Favored Glycine 0 N--CA 1.46 0.238 0 N-CA-C 116.562 1.385 . . . . 51.829999999999998 116.562 173.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -66.48 -31.25 71.87 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.692 0.797 . . . . 57.310000000000002 111.303 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' HD3' HH21 ' A' ' 40' ' ' ARG . 7.2 mtp85 -75.86 -6.27 49.99 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 118.449 -0.786 . . . . 71.799999999999997 112.899 176.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 HD11 ' A' ' 15' ' ' LEU . 85.2 mtm180 56.02 55.09 7.21 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 125.52 1.528 . . . . 66.5 111.25 178.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.478 HH21 ' HD3' ' A' ' 38' ' ' ARG . 95.2 mtt180 -92.61 145.67 24.26 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 120.727 -0.389 . . . . 52.710000000000001 111.18 -179.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.7 t -82.95 123.68 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.851 -0.796 . . . . 45.590000000000003 108.851 179.928 165.78 54.812 87.994 103.963 2.03 103.325 55.545 172.244 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -113.08 126.89 55.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 119.484 -0.293 . . . . 52.090000000000003 111.183 176.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.7 m -81.79 134.84 35.47 Favored 'General case' 0 CA--C 1.491 -1.303 0 C-N-CA 124.059 0.944 . . . . 48.759999999999998 110.244 176.671 -59.329 -43.324 -80.326 102.576 2.036 103.212 -74.055 -74.469 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.1 p -115.19 150.66 35.76 Favored 'General case' 0 CA--C 1.497 -1.079 0 N-CA-C 113.504 0.928 . . . . 54.719999999999999 113.504 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HE2' ' SG ' ' B' ' 47' ' ' CYS . 33.0 pttt -168.08 164.06 13.52 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 124.278 1.031 . . . . 80.120000000000005 111.143 174.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -63.91 145.2 56.27 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 117.669 0.213 . . . . 74.709999999999994 110.696 179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.253 1.267 0 N-CA-C 108.528 -0.916 . . . . 71.799999999999997 108.528 178.676 -55.59 -78.185 116.525 106.876 2.047 105.495 64.01 -80.685 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 110.959 -0.015 . . . . 62.530000000000001 110.959 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 29.2 m -102.91 129.44 49.62 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.512 0.56 . . . . 61.280000000000001 112.512 -178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 27.1 m -104.92 146.45 29.01 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.686 0.794 . . . . 72.010000000000005 110.63 176.042 -79.123 136.323 -107.516 100.402 2.028 106.854 143.091 -104.757 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.565 ' HG2' HG22 ' B' ' 44' ' ' THR . 73.6 mt-10 -125.15 152.37 44.53 Favored 'General case' 0 CA--C 1.498 -1.027 0 C-N-CA 124.301 1.04 . . . . 72.920000000000002 112.285 -176.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -152.04 130.0 11.77 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.218 -1.401 . . . . 52.149999999999999 107.218 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.2 129.47 42.16 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.924 -0.31 . . . . 64.510000000000005 111.002 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 42.6 t -56.14 134.38 52.84 Favored 'General case' 0 CA--C 1.503 -0.849 0 C-N-CA 124.771 1.229 . . . . 49.229999999999997 111.649 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -87.69 -19.27 27.89 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.358 0.411 . . . . 55.759999999999998 111.441 175.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -99.84 -32.1 11.18 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.393 1.627 . . . . 61.619999999999997 115.393 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -64.01 128.05 34.1 Favored 'General case' 0 C--N 1.334 -0.104 0 N-CA-C 113.185 0.809 . . . . 47.090000000000003 113.185 -176.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -110.31 147.02 34.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.742 0.306 . . . . 59.530000000000001 111.354 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.05 -173.17 48.73 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 114.62 0.608 . . . . 55.539999999999999 114.62 -179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -74.68 149.62 38.57 Favored 'Trans proline' 0 C--N 1.346 0.437 0 CA-C-N 117.324 0.562 . . . . 57.869999999999997 112.709 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 t -92.55 98.11 11.25 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.579 1.152 . . . . 64.5 109.366 -179.739 -169.683 -81.098 -61.898 107.676 2.049 107.176 -56.965 -54.81 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -98.49 -37.73 9.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 120.216 -0.593 . . . . 65.370000000000005 111.906 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 38.3 mmm-85 -111.07 124.56 52.42 Favored 'General case' 0 C--N 1.348 0.539 0 N-CA-C 109.062 -0.718 . . . . 72.189999999999998 109.062 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.69 92.15 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.103 1.361 . . . . 51.25 113.999 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -57.27 -42.94 82.58 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.851 -0.53 . . . . 51.57 111.44 179.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -58.34 -47.57 83.33 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 123.327 0.651 . . . . 42.899999999999999 110.383 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 38.4 t -61.51 -53.21 59.46 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 124.326 1.05 . . . . 48.32 108.829 178.862 174.936 60.14 88.183 107.8 2.034 103.645 55.8 167.014 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.8 63.24 Favored 'General case' 0 CA--C 1.557 1.22 0 CA-C-N 118.813 0.733 . . . . 42.280000000000001 112.663 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 55.4 m-20 -73.29 -35.25 66.11 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 124.255 1.022 . . . . 44.93 111.933 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 t -69.45 -35.41 66.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 108.107 -1.071 . . . . 41.539999999999999 108.107 175.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 64.0 m -66.67 -20.86 66.07 Favored 'General case' 0 C--O 1.217 -0.651 0 C-N-CA 125.978 1.711 . . . . 41.960000000000001 114.326 178.673 -73.239 -77.744 -73.44 102.606 2.043 105.288 -43.935 -57.574 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -73.69 -33.48 64.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.751 0.82 . . . . 54.75 109.66 175.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.3 p -69.33 -18.51 63.82 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 122.86 0.464 . . . . 48.810000000000002 111.532 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -94.3 7.11 46.54 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.958 0.903 . . . . 52.740000000000002 112.784 175.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 11.6 71.94 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 114.736 0.655 . . . . 54.399999999999999 114.736 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -97.31 163.12 13.03 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 117.959 0.88 . . . . 59.619999999999997 112.308 -178.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -78.6 -44.67 23.47 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 114.002 1.112 . . . . 66.219999999999999 114.002 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.96 -161.85 9.94 Favored Glycine 0 C--N 1.334 0.472 0 O-C-N 124.046 0.841 . . . . 50.030000000000001 112.635 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.71 148.58 11.53 Favored Glycine 0 CA--C 1.503 -0.66 0 N-CA-C 114.426 0.53 . . . . 53.880000000000003 114.426 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -136.33 149.32 48.34 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 119.548 -0.263 . . . . 77.959999999999994 111.673 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.53 141.23 35.33 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 106.709 -1.589 . . . . 64.780000000000001 106.709 173.258 -54.81 -56.965 -61.898 107.176 2.049 107.676 -81.098 -169.683 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -143.97 140.0 29.4 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.962 1.838 . . . . 79.060000000000002 115.962 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.22 175.53 39.83 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 117.136 1.614 . . . . 53.710000000000001 117.136 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.77 -32.11 73.46 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.626 1.171 . . . . 57.189999999999998 111.837 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.648 ' HE ' HH21 ' B' ' 40' ' ' ARG . 39.6 mtp85 -77.2 -5.09 47.9 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-O 118.347 -0.835 . . . . 80.079999999999998 113.084 177.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 55.79 57.55 5.13 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.839 1.656 . . . . 77.019999999999996 112.745 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.648 HH21 ' HE ' ' B' ' 38' ' ' ARG . 8.9 mmt85 -91.68 143.3 26.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.232 -0.44 . . . . 71.069999999999993 111.54 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.53 123.52 30.38 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.978 -0.749 . . . . 47.710000000000001 108.978 178.253 167.014 55.8 88.183 103.645 2.034 107.8 60.14 174.936 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -114.75 127.84 55.97 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 110.625 -0.139 . . . . 49.659999999999997 110.625 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.1 m -82.64 134.76 35.16 Favored 'General case' 0 CA--C 1.512 -0.482 0 C-N-CA 123.46 0.704 . . . . 50.060000000000002 110.666 176.249 -57.574 -43.935 -73.44 105.288 2.043 102.606 -77.744 -73.239 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' THR . . . . . 0.565 HG22 ' HG2' ' B' ' 4' ' ' GLU . 66.9 p -120.47 147.73 44.74 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 113.334 0.865 . . . . 51.25 113.334 -178.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -160.46 154.95 23.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.885 0.85 . . . . 70.030000000000001 110.129 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -57.43 145.59 32.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.237 -0.892 . . . . 66.109999999999999 111.178 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.438 ' SG ' ' HE2' ' A' ' 45' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.256 1.425 0 CA-C-O 117.158 -1.401 . . . . 73.459999999999994 110.671 174.92 -104.757 143.091 -107.516 106.854 2.028 100.402 136.323 -79.123 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 42.9 ttt180 . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 109.304 -0.628 . . . . 51.960000000000001 109.304 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 32.9 m -102.83 127.99 49.78 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.009 0.524 . . . . 52.68 111.852 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' CYS . . . . . . . . . . . . . 15.9 m -105.2 146.61 29.01 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.788 0.835 . . . . 65.060000000000002 109.541 178.234 -81.82 65.318 112.801 106.174 2.043 107.442 -77.147 -56.103 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.564 ' HG2' HG22 ' C' ' 44' ' ' THR . 76.9 mt-10 -124.67 152.62 43.45 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 122.802 0.441 . . . . 68.629999999999995 111.334 -176.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . 41.4 t -149.79 129.93 13.6 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.304 -1.369 . . . . 47.579999999999998 107.304 175.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -59.0 129.16 40.83 Favored 'General case' 0 C--O 1.241 0.649 0 CA-C-O 120.907 0.384 . . . . 55.340000000000003 110.367 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' SER . . . . . . . . . . . . . 29.5 t -52.06 133.34 33.14 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 126.138 1.775 . . . . 50.990000000000002 111.032 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -89.07 -17.43 29.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 118.689 -0.672 . . . . 52.039999999999999 110.971 175.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.608 ' NZ ' HG22 ' C' ' 26' ' ' THR . 78.9 mttt -100.58 -35.34 9.55 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 115.198 1.555 . . . . 65.159999999999997 115.198 -178.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.41 127.49 31.55 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.162 0.801 . . . . 46.460000000000001 113.162 -174.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -107.86 146.32 32.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.178 0.436 . . . . 62.210000000000001 112.178 178.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.93 -172.67 46.19 Favored Glycine 0 C--O 1.224 -0.472 0 N-CA-C 115.07 0.788 . . . . 54.75 115.07 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -72.38 146.98 46.08 Favored 'Trans proline' 0 C--O 1.241 0.639 0 N-CA-C 113.785 0.648 . . . . 57.390000000000001 113.785 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 7.2 t -76.11 90.09 3.06 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.189 0.995 . . . . 60.340000000000003 108.422 179.264 -160.893 -100.026 -64.476 102.664 2.037 105.93 -58.008 -54.761 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mp -74.1 -43.15 58.67 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.172 0.589 . . . . 64.75 111.217 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 70.8 mmt-85 -129.27 132.08 47.11 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 122.955 0.502 . . . . 68.840000000000003 110.195 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.17 -48.11 79.54 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 123.209 0.604 . . . . 49.909999999999997 112.269 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . 19.1 p -55.66 -32.64 63.38 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 125.149 1.379 . . . . 49.759999999999998 113.218 178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -68.75 -40.62 79.69 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 121.92 -0.487 . . . . 42.920000000000002 111.039 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 t -63.54 -49.34 73.85 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 108.371 -0.974 . . . . 42.799999999999997 108.371 178.007 164.867 67.556 78.579 102.478 2.048 105.883 59.805 163.077 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.15 62.22 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 126.081 1.753 . . . . 40.369999999999997 111.48 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -77.04 -38.51 52.64 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 112.113 0.412 . . . . 42.729999999999997 112.113 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.1 -34.71 68.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.906 0 CA-C-N 118.002 0.364 . . . . 35.539999999999999 110.303 174.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' CYS . . . . . . . . . . . . . 88.2 m -71.33 -23.72 61.98 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 114.085 1.143 . . . . 39.950000000000003 114.085 -179.502 -67.995 -84.932 -70.628 99.538 2.059 106.14 -45.231 -56.72 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -67.47 -33.94 76.16 Favored 'General case' 0 C--N 1.357 0.931 0 O-C-N 123.542 0.526 . . . . 49.530000000000001 110.358 175.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' THR . . . . . 0.608 HG22 ' NZ ' ' C' ' 9' ' ' LYS . 11.5 m -67.19 -21.73 65.77 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.848 1.659 . . . . 45.369999999999997 111.073 176.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -93.84 5.53 51.36 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.155 0.982 . . . . 55.880000000000003 113.24 175.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.11 14.96 68.05 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 124.073 0.844 . . . . 42.75 114.613 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -98.33 164.2 12.39 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 117.538 0.669 . . . . 41.659999999999997 111.349 -179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -81.32 -40.34 23.75 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 113.186 0.809 . . . . 58.5 113.186 -175.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.78 -159.4 8.78 Favored Glycine 0 CA--C 1.494 -1.224 0 CA-C-N 114.984 -1.007 . . . . 45.5 111.042 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . -171.76 157.76 28.19 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 125.245 1.402 . . . . 45.329999999999998 111.272 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -146.72 146.62 30.38 Favored 'General case' 0 C--N 1.311 -1.07 0 C-N-CA 124.274 1.029 . . . . 66.260000000000005 111.048 179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' CYS . . . . . . . . . . . . . 58.4 m -77.89 142.78 38.24 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 106.853 -1.536 . . . . 60.740000000000002 106.853 173.34 -54.761 -58.008 -64.476 105.93 2.037 102.664 -100.026 -160.893 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -146.37 143.17 28.9 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 115.458 1.651 . . . . 82.25 115.458 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.33 170.49 39.55 Favored Glycine 0 C--O 1.241 0.537 0 N-CA-C 115.894 1.118 . . . . 57.109999999999999 115.894 176.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -66.3 -32.81 74.44 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.635 0.774 . . . . 59.560000000000002 110.722 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' ARG . . . . . . . . . . . . . 23.3 mtp85 -75.27 -6.0 47.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-O 118.021 -0.99 . . . . 83.829999999999998 112.908 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 59.06 59.54 2.73 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 125.201 1.4 . . . . 78.819999999999993 113.357 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -89.62 150.4 22.4 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.531 -0.304 . . . . 76.459999999999994 110.878 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -92.44 122.97 35.4 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.532 -0.914 . . . . 44.899999999999999 108.532 176.26 163.077 59.805 78.579 105.883 2.048 102.478 67.556 164.867 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -113.19 126.08 55.04 Favored 'General case' 0 C--O 1.214 -0.806 0 O-C-N 122.425 -0.172 . . . . 47.549999999999997 111.225 177.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -81.68 134.89 35.52 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 124.007 0.923 . . . . 42.020000000000003 110.217 176.559 -56.72 -45.231 -70.628 106.14 2.059 99.538 -84.932 -67.995 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' THR . . . . . 0.564 HG22 ' HG2' ' C' ' 4' ' ' GLU . 60.8 p -119.43 147.68 44.11 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 112.76 0.652 . . . . 46.350000000000001 112.76 -177.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -162.23 163.1 28.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.957 . . . . 69.540000000000006 110.205 175.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -62.51 144.49 55.96 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 121.064 -0.255 . . . . 75.469999999999999 111.217 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 C--O 1.252 1.218 0 N-CA-C 108.19 -1.041 . . . . 67.930000000000007 108.19 178.479 -56.103 -77.147 112.801 107.442 2.043 106.174 65.318 -81.82 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 109.314 -0.624 . . . . 53.75 109.314 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 23.8 m -101.2 127.39 47.8 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 112.817 0.673 . . . . 59.369999999999997 112.817 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' CYS . . . . . . . . . . . . . 19.5 m -104.51 147.13 27.93 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.606 0.763 . . . . 65.349999999999994 108.947 178.184 -80.8 62.567 116.954 107.037 2.038 106.166 -78.347 -54.168 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLU . . . . . 0.564 ' HG2' HG22 ' D' ' 44' ' ' THR . 71.0 mt-10 -124.48 151.42 44.6 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 123.892 0.877 . . . . 72.590000000000003 111.878 -178.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' SER . . . . . . . . . . . . . 32.8 t -150.32 129.92 13.12 Favored 'General case' 0 CA--C 1.498 -1.045 0 N-CA-C 106.911 -1.514 . . . . 45.619999999999997 106.911 177.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -57.06 128.56 37.59 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 120.583 -0.447 . . . . 51.670000000000002 110.599 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -55.1 134.19 49.19 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 125.273 1.429 . . . . 43.689999999999998 111.47 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -87.05 -18.04 31.5 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 118.971 -0.538 . . . . 50.700000000000003 111.174 176.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -104.04 -31.92 9.46 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.332 1.234 . . . . 61.380000000000003 114.332 -175.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.11 127.89 33.32 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.667 0.988 . . . . 43.289999999999999 113.667 -176.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -111.82 147.98 34.55 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 120.968 0.413 . . . . 51.509999999999998 111.233 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.94 -170.06 53.28 Favored Glycine 0 C--N 1.321 -0.293 0 CA-C-N 116.17 -0.468 . . . . 52.890000000000001 113.745 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -76.68 145.55 26.02 Favored 'Trans proline' 0 C--N 1.345 0.372 0 CA-C-O 121.621 0.592 . . . . 56.049999999999997 113.213 179.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' D' ' 20' ' ' CYS . 28.1 t -92.27 107.07 18.94 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 105.743 -1.947 . . . . 62.649999999999999 105.743 179.124 -169.836 -85.637 -58.52 105.521 2.053 110.351 -58.531 -53.48 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -103.1 -35.03 8.66 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 123.168 0.293 . . . . 61.409999999999997 111.423 177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -113.41 123.38 49.94 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.124 -0.695 . . . . 68.939999999999998 109.124 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.75 81.28 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.246 1.573 . . . . 52.5 115.246 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' SER . . . . . . . . . . . . . 19.8 p -68.08 -23.8 64.98 Favored 'General case' 0 C--N 1.357 0.927 0 CA-C-N 119.54 1.064 . . . . 50.259999999999998 112.727 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -69.11 -49.28 58.58 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 107.965 -1.124 . . . . 42.759999999999998 107.965 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' SG ' ' D' ' 14' ' ' CYS . 18.2 t -55.1 -48.59 73.37 Favored 'General case' 0 CA--C 1.562 1.432 0 O-C-N 121.641 -0.662 . . . . 42.369999999999997 109.432 174.813 170.96 65.177 80.794 103.303 2.034 106.877 60.027 164.313 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.97 70.86 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.391 1.477 . . . . 39.049999999999997 112.038 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -78.79 -43.32 25.67 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.298 -0.858 . . . . 45.509999999999998 112.194 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.35 -44.53 75.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-N 119.626 1.103 . . . . 38.439999999999998 110.519 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.8 -28.77 69.7 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 116.174 -1.869 . . . . 39.740000000000002 115.07 177.969 -66.414 -82.592 -73.89 100.571 2.025 105.534 -46.555 -58.253 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -65.45 -33.95 77.15 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 120.988 1.722 . . . . 59.770000000000003 110.708 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' THR . . . . . . . . . . . . . 25.4 p -67.21 -19.76 65.6 Favored 'General case' 0 CA--C 1.565 1.531 0 C-N-CA 124.421 1.089 . . . . 48.659999999999997 111.073 175.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -95.05 4.99 53.13 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 124.177 0.991 . . . . 54.340000000000003 112.973 175.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.33 13.4 65.82 Favored Glycine 0 C--O 1.222 -0.595 0 C-N-CA 124.5 1.048 . . . . 46.369999999999997 114.027 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -96.9 165.87 11.89 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 118.33 1.065 . . . . 45.590000000000003 112.008 -179.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -81.89 -43.88 17.58 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.912 0.863 . . . . 62.469999999999999 112.507 -178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.21 -160.6 9.24 Favored Glycine 0 CA--C 1.485 -1.788 0 CA-C-N 114.81 -1.087 . . . . 42.299999999999997 112.192 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.65 159.87 32.27 Favored Glycine 0 C--N 1.303 -1.257 0 CA-C-N 114.316 -0.942 . . . . 41.509999999999998 112.346 -176.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -150.38 144.45 25.48 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 123.328 0.651 . . . . 68.790000000000006 110.963 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' CYS . . . . . . . . . . . . . 55.2 m -78.51 140.76 38.53 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 106.389 -1.708 . . . . 63.469999999999999 106.389 174.723 -53.48 -58.531 -58.52 110.351 2.053 105.521 -85.637 -169.836 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.33 142.79 31.43 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 115.652 1.723 . . . . 79.069999999999993 115.652 -178.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.07 172.31 36.62 Favored Glycine 0 C--N 1.322 -0.209 0 N-CA-C 116.921 1.528 . . . . 52.740000000000002 116.921 175.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -66.13 -34.2 77.51 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 117.255 0.527 . . . . 56.369999999999997 110.797 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' ARG . . . . . 0.456 ' HE ' HH21 ' D' ' 40' ' ' ARG . 30.9 mtp85 -67.31 -9.57 42.3 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 118.202 -0.904 . . . . 83.109999999999999 113.06 177.303 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 59.96 52.98 4.9 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 126.129 1.772 . . . . 80.430000000000007 111.642 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.456 HH21 ' HE ' ' D' ' 38' ' ' ARG . 4.5 mmt85 -92.81 149.81 21.04 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.458 0.54 . . . . 65.989999999999995 112.458 -178.143 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -89.83 122.87 33.3 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 123.333 0.653 . . . . 41.719999999999999 110.564 -177.191 164.313 60.027 80.794 106.877 2.034 103.303 65.177 170.96 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -112.17 125.8 54.52 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 123.135 0.272 . . . . 48.780000000000001 111.35 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' CYS . . . . . . . . . . . . . 68.9 m -81.48 137.1 35.64 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.73 0.812 . . . . 41.700000000000003 109.787 176.754 -58.253 -46.555 -73.89 105.534 2.025 100.571 -82.592 -66.414 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' THR . . . . . 0.564 HG22 ' HG2' ' D' ' 4' ' ' GLU . 82.3 p -121.81 148.62 44.44 Favored 'General case' 0 C--N 1.343 0.31 0 N-CA-C 112.467 0.543 . . . . 45.659999999999997 112.467 -178.331 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -164.44 163.03 22.31 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 124.1 0.96 . . . . 65.060000000000002 109.648 176.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -63.05 144.37 56.96 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 121.235 -0.186 . . . . 66.849999999999994 111.384 179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' CYS . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.252 1.232 0 N-CA-C 108.701 -0.851 . . . . 65.900000000000006 108.701 178.413 -54.168 -78.347 116.954 106.166 2.038 107.037 62.567 -80.8 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_