data_2v6x_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2v6x _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.507 2.416 0 N-CA-C 115.244 1.572 . . . . 27.550000000000001 115.244 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -121.28 129.02 52.92 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.744 -0.598 . . . . 17.91 111.431 164.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 64.5 mtm -70.95 142.44 51.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.306 0.379 . . . . 17.170000000000002 110.083 170.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -101.07 79.28 2.0 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.7 -1.222 . . . . 17.879999999999999 107.7 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -81.26 -28.57 34.69 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 116.563 2.06 . . . . 20.43 116.563 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.43 167.04 53.84 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 114.344 0.497 . . . . 19.859999999999999 114.344 -172.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -96.96 107.1 19.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 107.987 -1.116 . . . . 28.18 107.987 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.04 -35.34 76.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 114.278 1.214 . . . . 21.219999999999999 114.278 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.21 -55.88 29.22 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 123.886 0.741 . . . . 15.359999999999999 111.385 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -70.12 -31.37 68.87 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 112.04 0.385 . . . . 18.09 112.04 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.15 -49.19 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.408 -0.517 . . . . 22.550000000000001 111.106 169.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.8 78.7 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.152 -0.779 . . . . 13.92 111.152 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.03 -46.35 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 112.851 0.686 . . . . 15.33 112.851 176.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -50.58 -48.6 57.61 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.172 0.51 . . . . 29.899999999999999 112.307 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -69.04 -37.56 78.65 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 113.887 1.069 . . . . 19.920000000000002 113.887 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.31 -41.04 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.527 0.517 . . . . 15.15 111.695 175.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.25 -40.48 81.89 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.189 0.519 . . . . 23.879999999999999 112.167 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -61.41 -48.52 80.82 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.603 -0.726 . . . . 27.66 110.201 172.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -42.53 71.7 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.608 0.718 . . . . 12.619999999999999 112.299 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.23 -45.41 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.627 -0.715 . . . . 14.390000000000001 110.824 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.25 -47.26 75.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.747 0.647 . . . . 28.120000000000001 112.747 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mt -64.99 -43.1 93.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.675 0.62 . . . . 15.07 112.675 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -57.27 -50.11 73.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.074 0.95 . . . . 15.6 109.415 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.6 m -55.65 -40.0 71.65 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.283 0.846 . . . . 16.649999999999999 113.283 175.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.23 2.9 9.84 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.347 1.24 . . . . 12.85 114.347 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 p 64.1 18.51 11.29 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.374 1.47 . . . . 12.56 113.009 -174.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -86.5 71.0 10.49 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.399 -0.963 . . . . 25.199999999999999 108.399 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -71.16 -34.91 71.42 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.193 1.183 . . . . 16.949999999999999 114.193 -163.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.08 -56.15 24.29 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.832 0.708 . . . . 29.34 111.304 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -62.34 -43.82 97.93 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 123.246 0.618 . . . . 29.960000000000001 112.306 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.36 80.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.773 0.429 . . . . 11.52 111.764 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.63 -47.26 85.0 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 22.149999999999999 111.372 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 m -60.77 -46.3 91.0 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 124.28 1.032 . . . . 15.789999999999999 113.028 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.72 84.73 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.025 0.75 . . . . 10.84 113.025 173.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -56.72 -51.33 69.24 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.056 0.389 . . . . 12.59 111.293 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . 0.363 1.2 p90 -66.1 -35.78 81.42 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 117.826 -1.55 . . . . 22.5 113.978 -177.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -56.85 -47.92 79.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.288 0.477 . . . . 24.469999999999999 112.288 170.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.01 -44.38 97.29 Favored Glycine 0 N--CA 1.48 1.601 0 CA-C-N 116.211 -0.45 . . . . 14.24 112.751 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.94 -34.27 77.11 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 114.699 1.37 . . . . 13.890000000000001 114.699 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.87 -42.81 97.43 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.805 0.691 . . . . 23.190000000000001 109.34 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -67.42 -42.29 83.47 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 113.773 1.027 . . . . 16.949999999999999 113.773 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.3 -34.67 78.89 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.418 0.525 . . . . 17.989999999999998 112.418 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' MSE . . . . . . . . . . . . . 11.0 tpt -62.56 -41.97 99.24 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.668 -0.493 . . . . 32.240000000000002 109.668 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.98 -38.9 72.75 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 120.258 -0.577 . . . . 16.57 111.312 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.84 -50.08 69.51 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.822 0.82 . . . . 14.34 110.955 171.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -56.82 -49.84 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.358 1.244 . . . . 16.890000000000001 114.358 174.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.93 -35.42 71.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.173 0.511 . . . . 19.91 110.636 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -102.35 -1.26 31.28 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.754 1.02 . . . . 20.239999999999998 113.754 -170.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -77.46 130.31 36.86 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.053 0.541 . . . . 20.84 111.38 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -102.43 -16.23 16.25 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.016 1.487 . . . . 28.359999999999999 115.016 -177.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -85.89 117.7 69.19 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 122.866 0.467 . . . . 14.77 109.82 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.75 -33.96 84.31 Favored 'Trans proline' 0 C--N 1.354 0.862 0 N-CA-C 114.79 1.035 . . . . 15.460000000000001 114.79 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -67.81 -43.81 78.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.499 -0.556 . . . . 26.440000000000001 109.499 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.7 m -59.05 -46.98 86.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.574 0.546 . . . . 16.280000000000001 112.34 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -57.15 -44.64 83.61 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.149 -0.315 . . . . 28.859999999999999 110.149 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -57.87 -46.54 84.7 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 112.6 0.593 . . . . 17.59 112.6 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.45 -45.96 81.71 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.904 -0.718 . . . . 13.24 112.571 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.11 -44.73 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.505 -0.554 . . . . 14.130000000000001 109.505 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -58.46 -46.82 85.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.925 0.713 . . . . 33.399999999999999 112.925 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.45 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 123.735 0.647 . . . . 13.08 111.692 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -70.4 -45.13 66.55 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 112.861 0.689 . . . . 21.77 112.861 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.28 -51.43 33.92 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.002 0.371 . . . . 16.530000000000001 112.002 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -56.14 -45.02 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.002 0.741 . . . . 19.890000000000001 113.002 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -60.92 -48.24 82.72 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 109.972 -0.381 . . . . 18.57 109.972 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.32 -33.04 64.93 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.366 0.603 . . . . 19.809999999999999 111.553 -176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.75 -45.41 86.57 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.547 -0.751 . . . . 15.300000000000001 111.616 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -53.15 -45.19 68.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.612 0.72 . . . . 19.140000000000001 110.15 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -70.79 -42.27 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.336 -0.546 . . . . 14.16 112.059 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.74 89.04 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 120.255 -0.578 . . . . 13.210000000000001 111.915 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.8 -38.9 86.94 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.046 1.128 . . . . 21.789999999999999 114.046 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -62.3 -43.6 98.44 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 113.509 0.929 . . . . 20.969999999999999 113.509 172.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -44.81 87.17 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.408 -0.815 . . . . 17.079999999999998 110.341 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -57.39 -46.8 83.05 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 112.212 0.449 . . . . 25.670000000000002 112.212 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -59.21 -41.02 87.61 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.681 0.753 . . . . 31.620000000000001 111.327 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -61.22 -44.01 97.95 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.938 -0.574 . . . . 17.84 111.845 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.6 mt -67.92 -41.49 82.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.236 0.335 . . . . 17.27 111.077 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -57.0 -41.12 77.88 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.542 0.686 . . . . 29.350000000000001 112.507 172.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.3 t -61.39 -47.87 83.83 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.721 1.378 . . . . 24.780000000000001 114.721 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.95 -37.89 88.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.287 0.235 . . . . 33.859999999999999 111.322 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -66.88 -42.4 85.64 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.47 1.108 . . . . 34.469999999999999 112.767 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.17 -19.82 61.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.055 0.455 . . . . 28.359999999999999 111.362 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 C--O 1.222 -0.38 0 N-CA-C 116.242 1.941 . . . . 29.77 116.242 -173.405 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.011 -0.042 . . . . 23.690000000000001 110.917 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' MSE . . . . . . . . . . . . . 35.9 mmt -71.75 -38.14 70.43 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.67 0.606 . . . . 22.129999999999999 110.924 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 62.7 mt -123.91 149.23 46.11 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.332 -0.849 . . . . 18.5 111.734 -172.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -138.1 139.54 39.52 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.598 0.759 . . . . 33.859999999999999 109.364 174.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 185' ' ' SER . . . . . . . . . . . . . 5.6 m -54.61 142.89 26.42 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 109.485 -0.561 . . . . 28.739999999999998 109.485 171.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 56.8 p -66.76 134.93 94.22 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 107.027 -1.472 . . . . 31.73 107.027 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -64.6 142.14 76.2 Favored 'Trans proline' 0 C--O 1.243 0.744 0 C-N-CA 121.752 1.635 . . . . 26.140000000000001 111.596 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.7 -35.3 72.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.261 0.976 . . . . 35.090000000000003 111.801 -174.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 189' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -65.88 -10.36 37.63 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 116.338 1.977 . . . . 30.32 116.338 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.22 -29.49 11.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.449 0.907 . . . . 29.879999999999999 113.449 171.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.57 -44.7 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 112.675 0.62 . . . . 29.989999999999998 112.675 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 75.3 m -58.1 -35.91 72.11 Favored 'General case' 0 C--O 1.26 1.642 0 N-CA-C 116.892 2.182 . . . . 28.02 116.892 -166.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -111.63 22.48 14.97 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.227 -0.442 . . . . 30.800000000000001 112.176 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' ALA . . . . . . . . . . . . . . . -57.93 138.28 83.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 122.864 0.466 . . . . 25.210000000000001 111.128 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.47 161.08 40.71 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 N-CA-C 110.617 -0.57 . . . . 24.550000000000001 110.617 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' ILE . . . . . . . . . . . . . 25.1 pt -112.03 150.42 14.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 101.882 -3.377 . . . . 25.350000000000001 101.882 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -54.15 -36.67 63.58 Favored 'General case' 0 N--CA 1.506 2.352 0 CA-C-N 120.287 1.403 . . . . 27.27 113.206 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 198' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -50.72 -27.91 8.04 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.632 1.716 . . . . 27.550000000000001 115.632 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 199' ' ' THR . . . . . 0.781 ' CG2' ' O ' ' B' 1003 ' ' HOH . 53.7 p -56.61 -38.93 72.73 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.889 -1.124 . . . . 28.300000000000001 113.177 -177.65 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -102.07 16.01 27.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.913 0.709 . . . . 23.829999999999998 112.913 -172.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' MSE . . . . . . . . . . . . . 2.2 mtm -105.73 143.6 33.65 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.077 -0.51 . . . . 32.07 110.995 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 77.83 15.16 81.58 Favored Glycine 0 C--O 1.223 -0.565 0 N-CA-C 114.939 0.736 . . . . 21.079999999999998 114.939 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 73.7 mt -82.46 -55.74 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 117.001 0.401 . . . . 22.75 110.628 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.32 132.38 29.58 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.639 0.587 . . . . 24.629999999999999 110.406 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -66.49 113.99 15.28 Favored Pre-proline 0 C--O 1.242 0.689 0 CA-C-N 114.025 -1.443 . . . . 33.100000000000001 109.393 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 C--N 1.361 1.209 0 C-N-CA 124.744 3.629 . . . . 28.27 113.658 179.173 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 C--O 1.242 0.701 0 CA-C-O 120.241 0.017 . . . . 33.759999999999998 112.086 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -80.5 -8.28 59.51 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.324 0.39 . . . . 33.649999999999999 111.498 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.84 -49.97 47.33 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.679 0.622 . . . . 34.479999999999997 112.679 -172.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -24.57 62.44 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.334 -0.394 . . . . 35.630000000000003 111.384 -179.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.45 -48.42 64.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.547 0.339 . . . . 31.73 111.812 173.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -61.76 -34.27 75.56 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.592 0.219 . . . . 33.939999999999998 111.592 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.57 84.03 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.377 0.671 . . . . 29.699999999999999 111.407 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -66.9 -38.36 86.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.372 -0.831 . . . . 29.329999999999998 112.607 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' LEU . . . . . . . . . . . . . 55.0 tp -65.96 -37.76 86.83 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.574 0.225 . . . . 29.34 111.08 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.46 -46.04 91.5 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.168 -0.679 . . . . 30.989999999999998 109.168 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' THR . . . . . . . . . . . . . 18.1 m -63.28 -40.82 98.45 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.934 -0.575 . . . . 28.489999999999998 112.355 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' LEU . . . . . . . . . . . . . 20.5 tp -64.05 -37.14 86.35 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.306 1.224 . . . . 29.789999999999999 114.306 -173.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -75.85 -24.81 55.8 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 114.287 1.218 . . . . 30.329999999999998 114.287 -171.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -56.57 136.59 54.43 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 114.903 1.446 . . . . 39.25 114.903 -176.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 . . . . . 0 C--N 1.358 0.965 0 O-C-N 124.732 1.27 . . . . 34.049999999999997 112.066 -175.104 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1232 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1003 ' ' HOH . . . . . 0.781 ' O ' ' CG2' ' B' ' 199' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.507 2.416 0 N-CA-C 115.244 1.572 . . . . 27.550000000000001 115.244 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -121.28 129.02 52.92 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.744 -0.598 . . . . 17.91 111.431 164.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 64.5 mtm -70.95 142.44 51.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.306 0.379 . . . . 17.170000000000002 110.083 170.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -101.07 79.28 2.0 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.7 -1.222 . . . . 17.879999999999999 107.7 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -81.26 -28.57 34.69 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 116.563 2.06 . . . . 20.43 116.563 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.43 167.04 53.84 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 114.344 0.497 . . . . 19.859999999999999 114.344 -172.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -96.96 107.1 19.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 107.987 -1.116 . . . . 28.18 107.987 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.04 -35.34 76.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 114.278 1.214 . . . . 21.219999999999999 114.278 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.21 -55.88 29.22 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 123.886 0.741 . . . . 15.359999999999999 111.385 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -70.12 -31.37 68.87 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 112.04 0.385 . . . . 18.09 112.04 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.15 -49.19 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.408 -0.517 . . . . 22.550000000000001 111.106 169.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.8 78.7 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.152 -0.779 . . . . 13.92 111.152 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.03 -46.35 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 112.851 0.686 . . . . 15.33 112.851 176.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -50.58 -48.6 57.61 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.172 0.51 . . . . 29.899999999999999 112.307 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -69.04 -37.56 78.65 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 113.887 1.069 . . . . 19.920000000000002 113.887 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.31 -41.04 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.527 0.517 . . . . 15.15 111.695 175.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.25 -40.48 81.89 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.189 0.519 . . . . 23.879999999999999 112.167 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HE3' HD11 ' A' ' 20' ' ' LEU . 57.3 tptt -61.41 -48.52 80.82 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.603 -0.726 . . . . 27.66 110.201 172.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -42.53 71.7 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.608 0.718 . . . . 12.619999999999999 112.299 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.23 -45.41 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.627 -0.715 . . . . 14.390000000000001 110.824 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.25 -47.26 75.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.747 0.647 . . . . 28.120000000000001 112.747 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD11 ' HE3' ' A' ' 16' ' ' LYS . 11.1 mt -64.99 -43.1 93.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.675 0.62 . . . . 15.07 112.675 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -57.27 -50.11 73.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.074 0.95 . . . . 15.6 109.415 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.6 m -55.65 -40.0 71.65 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.283 0.846 . . . . 16.649999999999999 113.283 175.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.23 2.9 9.84 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.347 1.24 . . . . 12.85 114.347 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 p 64.1 18.51 11.29 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.374 1.47 . . . . 12.56 113.009 -174.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -86.5 71.0 10.49 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.399 -0.963 . . . . 25.199999999999999 108.399 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -71.16 -34.91 71.42 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.193 1.183 . . . . 16.949999999999999 114.193 -163.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.08 -56.15 24.29 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.832 0.708 . . . . 29.34 111.304 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -62.34 -43.82 97.93 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 123.246 0.618 . . . . 29.960000000000001 112.306 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.36 80.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.773 0.429 . . . . 11.52 111.764 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.63 -47.26 85.0 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 22.149999999999999 111.372 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 m -60.77 -46.3 91.0 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 124.28 1.032 . . . . 15.789999999999999 113.028 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.72 84.73 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.025 0.75 . . . . 10.84 113.025 173.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -56.72 -51.33 69.24 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.056 0.389 . . . . 12.59 111.293 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . 0.363 1.2 p90 -66.1 -35.78 81.42 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 117.826 -1.55 . . . . 22.5 113.978 -177.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -56.85 -47.92 79.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.288 0.477 . . . . 24.469999999999999 112.288 170.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.01 -44.38 97.29 Favored Glycine 0 N--CA 1.48 1.601 0 CA-C-N 116.211 -0.45 . . . . 14.24 112.751 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.94 -34.27 77.11 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 114.699 1.37 . . . . 13.890000000000001 114.699 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.87 -42.81 97.43 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.805 0.691 . . . . 23.190000000000001 109.34 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -67.42 -42.29 83.47 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 113.773 1.027 . . . . 16.949999999999999 113.773 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.3 -34.67 78.89 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.418 0.525 . . . . 17.989999999999998 112.418 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' MSE . . . . . . . . . . . . . 11.0 tpt -62.56 -41.97 99.24 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.668 -0.493 . . . . 32.240000000000002 109.668 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.98 -38.9 72.75 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 120.258 -0.577 . . . . 16.57 111.312 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.84 -50.08 69.51 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.822 0.82 . . . . 14.34 110.955 171.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -56.82 -49.84 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.358 1.244 . . . . 16.890000000000001 114.358 174.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.93 -35.42 71.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.173 0.511 . . . . 19.91 110.636 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -102.35 -1.26 31.28 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.754 1.02 . . . . 20.239999999999998 113.754 -170.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -77.46 130.31 36.86 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.053 0.541 . . . . 20.84 111.38 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -102.43 -16.23 16.25 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.016 1.487 . . . . 28.359999999999999 115.016 -177.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -85.89 117.7 69.19 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 122.866 0.467 . . . . 14.77 109.82 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.75 -33.96 84.31 Favored 'Trans proline' 0 C--N 1.354 0.862 0 N-CA-C 114.79 1.035 . . . . 15.460000000000001 114.79 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -67.81 -43.81 78.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.499 -0.556 . . . . 26.440000000000001 109.499 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.7 m -59.05 -46.98 86.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.574 0.546 . . . . 16.280000000000001 112.34 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -57.15 -44.64 83.61 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.149 -0.315 . . . . 28.859999999999999 110.149 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -57.87 -46.54 84.7 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 112.6 0.593 . . . . 17.59 112.6 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.45 -45.96 81.71 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.904 -0.718 . . . . 13.24 112.571 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.11 -44.73 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.505 -0.554 . . . . 14.130000000000001 109.505 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -58.46 -46.82 85.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.925 0.713 . . . . 33.399999999999999 112.925 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.45 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 123.735 0.647 . . . . 13.08 111.692 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HE2' HD11 ' B' ' 203' ' ' ILE . 30.6 mmmt -70.4 -45.13 66.55 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 112.861 0.689 . . . . 21.77 112.861 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.28 -51.43 33.92 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.002 0.371 . . . . 16.530000000000001 112.002 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -56.14 -45.02 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.002 0.741 . . . . 19.890000000000001 113.002 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -60.92 -48.24 82.72 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 109.972 -0.381 . . . . 18.57 109.972 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.32 -33.04 64.93 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.366 0.603 . . . . 19.809999999999999 111.553 -176.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.75 -45.41 86.57 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.547 -0.751 . . . . 15.300000000000001 111.616 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -53.15 -45.19 68.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.612 0.72 . . . . 19.140000000000001 110.15 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -70.79 -42.27 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.336 -0.546 . . . . 14.16 112.059 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.74 89.04 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 120.255 -0.578 . . . . 13.210000000000001 111.915 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.8 -38.9 86.94 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.046 1.128 . . . . 21.789999999999999 114.046 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -62.3 -43.6 98.44 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 113.509 0.929 . . . . 20.969999999999999 113.509 172.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -44.81 87.17 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.408 -0.815 . . . . 17.079999999999998 110.341 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -57.39 -46.8 83.05 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 112.212 0.449 . . . . 25.670000000000002 112.212 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -59.21 -41.02 87.61 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.681 0.753 . . . . 31.620000000000001 111.327 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -61.22 -44.01 97.95 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.938 -0.574 . . . . 17.84 111.845 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.6 mt -67.92 -41.49 82.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.236 0.335 . . . . 17.27 111.077 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -57.0 -41.12 77.88 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.542 0.686 . . . . 29.350000000000001 112.507 172.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.3 t -61.39 -47.87 83.83 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.721 1.378 . . . . 24.780000000000001 114.721 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.95 -37.89 88.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.287 0.235 . . . . 33.859999999999999 111.322 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -66.88 -42.4 85.64 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.47 1.108 . . . . 34.469999999999999 112.767 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.17 -19.82 61.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.055 0.455 . . . . 28.359999999999999 111.362 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.222 -0.38 0 N-CA-C 116.242 1.941 . . . . 29.77 116.242 -173.405 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 181' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.011 -0.042 . . . . 23.690000000000001 110.917 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 182' ' ' MSE . . . . . . . . . . . . . 35.9 mmt -71.75 -38.14 70.43 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.67 0.606 . . . . 22.129999999999999 110.924 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 62.7 mt -123.91 149.23 46.11 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.332 -0.849 . . . . 18.5 111.734 -172.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 184' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -138.1 139.54 39.52 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.598 0.759 . . . . 33.859999999999999 109.364 174.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 185' ' ' SER . . . . . . . . . . . . . 5.6 m -54.61 142.89 26.42 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 109.485 -0.561 . . . . 28.739999999999998 109.485 171.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 56.8 p -66.76 134.93 94.22 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 107.027 -1.472 . . . . 31.73 107.027 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -64.6 142.14 76.2 Favored 'Trans proline' 0 C--O 1.243 0.744 0 C-N-CA 121.752 1.635 . . . . 26.140000000000001 111.596 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 188' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.7 -35.3 72.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.261 0.976 . . . . 35.090000000000003 111.801 -174.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 189' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -65.88 -10.36 37.63 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 116.338 1.977 . . . . 30.32 116.338 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.22 -29.49 11.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.449 0.907 . . . . 29.879999999999999 113.449 171.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.57 -44.7 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 112.675 0.62 . . . . 29.989999999999998 112.675 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 75.3 m -58.1 -35.91 72.11 Favored 'General case' 0 C--O 1.26 1.642 0 N-CA-C 116.892 2.182 . . . . 28.02 116.892 -166.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -111.63 22.48 14.97 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.227 -0.442 . . . . 30.800000000000001 112.176 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 194' ' ' ALA . . . . . . . . . . . . . . . -57.93 138.28 83.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 122.864 0.466 . . . . 25.210000000000001 111.128 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.47 161.08 40.71 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 N-CA-C 110.617 -0.57 . . . . 24.550000000000001 110.617 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 196' ' ' ILE . . . . . . . . . . . . . 25.1 pt -112.03 150.42 14.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 101.882 -3.377 . . . . 25.350000000000001 101.882 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -54.15 -36.67 63.58 Favored 'General case' 0 N--CA 1.506 2.352 0 CA-C-N 120.287 1.403 . . . . 27.27 113.206 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 198' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -50.72 -27.91 8.04 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.632 1.716 . . . . 27.550000000000001 115.632 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 199' ' ' THR . . . . . 0.849 HG21 ' O ' ' B' 1003 ' ' HOH . 53.7 p -56.61 -38.93 72.73 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.889 -1.124 . . . . 28.300000000000001 113.177 -177.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -102.07 16.01 27.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.913 0.709 . . . . 23.829999999999998 112.913 -172.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' MSE . . . . . . . . . . . . . 2.2 mtm -105.73 143.6 33.65 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.077 -0.51 . . . . 32.07 110.995 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 77.83 15.16 81.58 Favored Glycine 0 C--O 1.223 -0.565 0 N-CA-C 114.939 0.736 . . . . 21.079999999999998 114.939 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 59' ' ' LYS . 73.7 mt -82.46 -55.74 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 117.001 0.401 . . . . 22.75 110.628 -178.091 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.32 132.38 29.58 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.639 0.587 . . . . 24.629999999999999 110.406 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -66.49 113.99 15.28 Favored Pre-proline 0 C--O 1.242 0.689 0 CA-C-N 114.025 -1.443 . . . . 33.100000000000001 109.393 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 C--N 1.361 1.209 0 C-N-CA 124.744 3.629 . . . . 28.27 113.658 179.173 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 C--O 1.242 0.701 0 CA-C-O 120.241 0.017 . . . . 33.759999999999998 112.086 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -80.5 -8.28 59.51 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.324 0.39 . . . . 33.649999999999999 111.498 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.84 -49.97 47.33 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.679 0.622 . . . . 34.479999999999997 112.679 -172.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -24.57 62.44 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.334 -0.394 . . . . 35.630000000000003 111.384 -179.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 221' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.45 -48.42 64.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.547 0.339 . . . . 31.73 111.812 173.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 222' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -61.76 -34.27 75.56 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.592 0.219 . . . . 33.939999999999998 111.592 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.57 84.03 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.377 0.671 . . . . 29.699999999999999 111.407 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -66.9 -38.36 86.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.372 -0.831 . . . . 29.329999999999998 112.607 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 225' ' ' LEU . . . . . . . . . . . . . 55.0 tp -65.96 -37.76 86.83 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.574 0.225 . . . . 29.34 111.08 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 226' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.46 -46.04 91.5 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.168 -0.679 . . . . 30.989999999999998 109.168 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 227' ' ' THR . . . . . . . . . . . . . 18.1 m -63.28 -40.82 98.45 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.934 -0.575 . . . . 28.489999999999998 112.355 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 228' ' ' LEU . . . . . . . . . . . . . 20.5 tp -64.05 -37.14 86.35 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.306 1.224 . . . . 29.789999999999999 114.306 -173.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -75.85 -24.81 55.8 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 114.287 1.218 . . . . 30.329999999999998 114.287 -171.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -56.57 136.59 54.43 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 114.903 1.446 . . . . 39.25 114.903 -176.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 231' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 . . . . . 0 C--N 1.358 0.965 0 O-C-N 124.732 1.27 . . . . 34.049999999999997 112.066 -175.104 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1232 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1003 ' ' HOH . . . . . 0.849 ' O ' HG21 ' B' ' 199' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.507 2.416 0 N-CA-C 115.244 1.572 . . . . 27.55 115.244 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -121.28 129.02 52.92 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.744 -0.598 . . . . 17.91 111.431 164.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 64.5 mtm -70.95 142.44 51.04 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.306 0.379 . . . . 17.17 110.083 170.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 p -101.07 79.28 2.0 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.7 -1.222 . . . . 17.88 107.7 -179.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -81.26 -28.57 34.69 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 116.563 2.06 . . . . 20.43 116.563 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.43 167.04 53.84 Favored Glycine 0 N--CA 1.474 1.186 0 N-CA-C 114.344 0.497 . . . . 19.86 114.344 -172.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -96.96 107.1 19.56 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 107.987 -1.116 . . . . 28.18 107.987 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -61.04 -35.34 76.65 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 114.278 1.214 . . . . 21.22 114.278 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.8 tp -59.21 -55.88 29.22 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 123.886 0.741 . . . . 15.36 111.385 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -70.12 -31.37 68.87 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 112.04 0.385 . . . . 18.09 112.04 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.15 -49.19 78.63 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 120.408 -0.517 . . . . 22.55 111.106 169.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.16 -47.8 78.7 Favored Glycine 0 CA--C 1.532 1.139 0 N-CA-C 111.152 -0.779 . . . . 13.92 111.152 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.9 mt -59.03 -46.35 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 112.851 0.686 . . . . 15.33 112.851 176.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -50.58 -48.6 57.61 Favored 'General case' 0 C--O 1.244 0.796 0 CA-C-O 121.172 0.51 . . . . 29.9 112.307 174.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mt -69.04 -37.56 78.65 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 113.887 1.069 . . . . 19.92 113.887 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.31 -41.04 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 123.527 0.517 . . . . 15.15 111.695 175.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.25 -40.48 81.89 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-O 121.189 0.519 . . . . 23.88 112.167 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HE3' HD11 ' A' ' 20' ' ' LEU . 57.3 tptt -61.41 -48.52 80.82 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-N 115.603 -0.726 . . . . 27.66 110.201 172.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.74 -42.53 71.7 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 121.608 0.718 . . . . 12.62 112.299 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.23 -45.41 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 115.627 -0.715 . . . . 14.39 110.824 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -55.25 -47.26 75.67 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.747 0.647 . . . . 28.12 112.747 173.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD11 ' HE3' ' A' ' 16' ' ' LYS . 11.1 mt -64.99 -43.1 93.71 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.675 0.62 . . . . 15.07 112.675 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -57.27 -50.11 73.94 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.074 0.95 . . . . 15.6 109.415 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.6 m -55.65 -40.0 71.65 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.283 0.846 . . . . 16.65 113.283 175.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.23 2.9 9.84 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 114.347 1.24 . . . . 12.85 114.347 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 p 64.1 18.51 11.29 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.374 1.47 . . . . 12.56 113.009 -174.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -86.5 71.0 10.49 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.399 -0.963 . . . . 25.2 108.399 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -71.16 -34.91 71.42 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.193 1.183 . . . . 16.95 114.193 -163.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.08 -56.15 24.29 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.832 0.708 . . . . 29.34 111.304 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -62.34 -43.82 97.93 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 123.246 0.618 . . . . 29.96 112.306 177.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.4 -45.36 80.66 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.773 0.429 . . . . 11.52 111.764 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -58.63 -47.26 85.0 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.721 -0.392 . . . . 22.15 111.372 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 m -60.77 -46.3 91.0 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 124.28 1.032 . . . . 15.79 113.028 176.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.72 84.73 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.025 0.75 . . . . 10.84 113.025 173.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -56.72 -51.33 69.24 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 118.056 0.389 . . . . 12.59 111.293 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . 0.363 1.2 p90 -66.1 -35.78 81.42 Favored 'General case' 0 C--O 1.214 -0.802 0 C-N-CA 117.826 -1.55 . . . . 22.5 113.978 -177.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -56.85 -47.92 79.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.288 0.477 . . . . 24.47 112.288 170.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.01 -44.38 97.29 Favored Glycine 0 N--CA 1.48 1.601 0 CA-C-N 116.211 -0.45 . . . . 14.24 112.751 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.94 -34.27 77.11 Favored 'General case' 0 C--O 1.215 -0.729 0 N-CA-C 114.699 1.37 . . . . 13.89 114.699 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.87 -42.81 97.43 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.805 0.691 . . . . 23.19 109.34 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -67.42 -42.29 83.47 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 113.773 1.027 . . . . 16.95 113.773 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -65.3 -34.67 78.89 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.418 0.525 . . . . 17.99 112.418 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' MSE . . . . . . . . . . . . . 11.0 tpt -62.56 -41.97 99.24 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 109.668 -0.493 . . . . 32.24 109.668 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.98 -38.9 72.75 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 120.258 -0.577 . . . . 16.57 111.312 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.84 -50.08 69.51 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.822 0.82 . . . . 14.34 110.955 171.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 tp -56.82 -49.84 74.19 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.358 1.244 . . . . 16.89 114.358 174.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.93 -35.42 71.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.173 0.511 . . . . 19.91 110.636 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -102.35 -1.26 31.28 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.754 1.02 . . . . 20.24 113.754 -170.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -77.46 130.31 36.86 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.053 0.541 . . . . 20.84 111.38 -174.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -102.43 -16.23 16.25 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.016 1.487 . . . . 28.36 115.016 -177.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -85.89 117.7 69.19 Favored Pre-proline 0 N--CA 1.488 1.467 0 C-N-CA 122.866 0.467 . . . . 14.77 109.82 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.75 -33.96 84.31 Favored 'Trans proline' 0 C--N 1.354 0.862 0 N-CA-C 114.79 1.035 . . . . 15.46 114.79 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -67.81 -43.81 78.77 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.499 -0.556 . . . . 26.44 109.499 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.7 m -59.05 -46.98 86.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.574 0.546 . . . . 16.28 112.34 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -57.15 -44.64 83.61 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 110.149 -0.315 . . . . 28.86 110.149 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -57.87 -46.54 84.7 Favored 'General case' 0 C--O 1.245 0.849 0 N-CA-C 112.6 0.593 . . . . 17.59 112.6 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.45 -45.96 81.71 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 119.904 -0.718 . . . . 13.24 112.571 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.4 mt -57.11 -44.73 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.505 -0.554 . . . . 14.13 109.505 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -58.46 -46.82 85.83 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.925 0.713 . . . . 33.4 112.925 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.45 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 123.735 0.647 . . . . 13.08 111.692 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HE2' HD11 ' B' ' 203' ' ' ILE . 30.6 mmmt -70.4 -45.13 66.55 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 112.861 0.689 . . . . 21.77 112.861 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -49.28 -51.43 33.92 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 112.002 0.371 . . . . 16.53 112.002 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 88.3 m -56.14 -45.02 79.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.002 0.741 . . . . 19.89 113.002 177.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -60.92 -48.24 82.72 Favored 'General case' 0 C--O 1.245 0.846 0 N-CA-C 109.972 -0.381 . . . . 18.57 109.972 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -73.32 -33.04 64.93 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-O 121.366 0.603 . . . . 19.81 111.553 -176.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.75 -45.41 86.57 Favored 'General case' 0 C--O 1.256 1.404 0 CA-C-N 115.547 -0.751 . . . . 15.3 111.616 174.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -53.15 -45.19 68.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.612 0.72 . . . . 19.14 110.15 174.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -70.79 -42.27 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.336 -0.546 . . . . 14.16 112.059 -176.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.55 -39.74 89.04 Favored 'General case' 0 C--O 1.245 0.844 0 C-N-CA 120.255 -0.578 . . . . 13.21 111.915 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.8 -38.9 86.94 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 114.046 1.128 . . . . 21.79 114.046 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -62.3 -43.6 98.44 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 113.509 0.929 . . . . 20.97 113.509 172.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -44.81 87.17 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.408 -0.815 . . . . 17.08 110.341 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -57.39 -46.8 83.05 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 112.212 0.449 . . . . 25.67 112.212 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -59.21 -41.02 87.61 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.681 0.753 . . . . 31.62 111.327 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -61.22 -44.01 97.95 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.938 -0.574 . . . . 17.84 111.845 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.6 mt -67.92 -41.49 82.53 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.236 0.335 . . . . 17.27 111.077 -179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -57.0 -41.12 77.88 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 121.542 0.686 . . . . 29.35 112.507 172.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.3 t -61.39 -47.87 83.83 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 114.721 1.378 . . . . 24.78 114.721 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -62.95 -37.89 88.85 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.287 0.235 . . . . 33.86 111.322 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -66.88 -42.4 85.64 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.47 1.108 . . . . 34.47 112.767 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.17 -19.82 61.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.055 0.455 . . . . 28.36 111.362 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 22.6 m120 . . . . . 0 C--O 1.222 -0.38 0 N-CA-C 116.242 1.941 . . . . 29.77 116.242 -173.405 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' HIS . . . . . . . . . . . . . 76.5 m80 . . . . . 0 N--CA 1.498 1.974 0 CA-C-O 120.011 -0.042 . . . . 23.69 110.917 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' MSE . . . . . . . . . . . . . 35.9 mmt -71.75 -38.14 70.43 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.67 0.606 . . . . 22.13 110.924 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' LEU . . . . . . . . . . . . . 62.7 mt -123.91 149.23 46.11 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.332 -0.849 . . . . 18.5 111.734 -172.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -138.1 139.54 39.52 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.598 0.759 . . . . 33.86 109.364 174.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 185' ' ' SER . . . . . . . . . . . . . 5.6 m -54.61 142.89 26.42 Favored 'General case' 0 CA--C 1.51 -0.559 0 N-CA-C 109.485 -0.561 . . . . 28.74 109.485 171.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 56.8 p -66.76 134.93 94.22 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 107.027 -1.472 . . . . 31.73 107.027 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 187' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -64.6 142.14 76.2 Favored 'Trans proline' 0 C--O 1.243 0.744 0 C-N-CA 121.752 1.635 . . . . 26.14 111.596 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -58.7 -35.3 72.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.261 0.976 . . . . 35.09 111.801 -174.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 189' ' ' ASN . . . . . . . . . . . . . 37.0 p30 -65.88 -10.36 37.63 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 116.338 1.977 . . . . 30.32 116.338 174.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.22 -29.49 11.26 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.449 0.907 . . . . 29.88 113.449 171.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.57 -44.7 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 N-CA-C 112.675 0.62 . . . . 29.99 112.675 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' SER . . . . . . . . . . . . . 75.3 m -58.1 -35.91 72.11 Favored 'General case' 0 C--O 1.26 1.642 0 N-CA-C 116.892 2.182 . . . . 28.02 116.892 -166.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -111.63 22.48 14.97 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.227 -0.442 . . . . 30.8 112.176 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' ALA . . . . . . . . . . . . . . . -57.93 138.28 83.34 Favored Pre-proline 0 N--CA 1.481 1.123 0 C-N-CA 122.864 0.466 . . . . 25.21 111.128 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.47 161.08 40.71 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 N-CA-C 110.617 -0.57 . . . . 24.55 110.617 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' ILE . . . . . . . . . . . . . 25.1 pt -112.03 150.42 14.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 N-CA-C 101.882 -3.377 . . . . 25.35 101.882 168.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 197' ' ' ALA . . . . . . . . . . . . . . . -54.15 -36.67 63.58 Favored 'General case' 0 N--CA 1.506 2.352 0 CA-C-N 120.287 1.403 . . . . 27.27 113.206 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 198' ' ' GLU . . . . . . . . . . . . . 50.6 mp0 -50.72 -27.91 8.04 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.632 1.716 . . . . 27.55 115.632 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 199' ' ' THR . . . . . 0.849 HG21 ' O ' ' B' 1003 ' ' HOH . 53.7 p -56.61 -38.93 72.73 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 118.889 -1.124 . . . . 28.3 113.177 -177.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 200' ' ' ALA . . . . . . . . . . . . . . . -102.07 16.01 27.36 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.913 0.709 . . . . 23.83 112.913 -172.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' MSE . . . . . . . . . . . . . 2.2 mtm -105.73 143.6 33.65 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.077 -0.51 . . . . 32.07 110.995 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 77.83 15.16 81.58 Favored Glycine 0 C--O 1.223 -0.565 0 N-CA-C 114.939 0.736 . . . . 21.08 114.939 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 59' ' ' LYS . 73.7 mt -82.46 -55.74 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 CA-C-N 117.001 0.401 . . . . 22.75 110.628 -178.091 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.32 132.38 29.58 Favored 'General case' 0 C--O 1.238 0.474 0 O-C-N 123.639 0.587 . . . . 24.63 110.406 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -66.49 113.99 15.28 Favored Pre-proline 0 C--O 1.242 0.689 0 CA-C-N 114.025 -1.443 . . . . 33.1 109.393 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 C--N 1.361 1.209 0 C-N-CA 124.744 3.629 . . . . 28.27 113.658 179.173 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo . . . . . 0 C--O 1.242 0.701 0 CA-C-O 120.241 0.017 . . . . 33.76 112.086 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -80.5 -8.28 59.51 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.324 0.39 . . . . 33.65 111.498 178.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.84 -49.97 47.33 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 112.679 0.622 . . . . 34.48 112.679 -172.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -24.57 62.44 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.334 -0.394 . . . . 35.63 111.384 -179.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.45 -48.42 64.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.547 0.339 . . . . 31.73 111.812 173.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -61.76 -34.27 75.56 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.592 0.219 . . . . 33.94 111.592 174.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.57 84.03 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 123.377 0.671 . . . . 29.7 111.407 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -66.9 -38.36 86.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.372 -0.831 . . . . 29.33 112.607 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' LEU . . . . . . . . . . . . . 55.0 tp -65.96 -37.76 86.83 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.574 0.225 . . . . 29.34 111.08 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.46 -46.04 91.5 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.168 -0.679 . . . . 30.99 109.168 176.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' THR . . . . . . . . . . . . . 18.1 m -63.28 -40.82 98.45 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.934 -0.575 . . . . 28.49 112.355 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' LEU . . . . . . . . . . . . . 20.5 tp -64.05 -37.14 86.35 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.306 1.224 . . . . 29.79 114.306 -173.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -75.85 -24.81 55.8 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 114.287 1.218 . . . . 30.33 114.287 -171.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -56.57 136.59 54.43 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 114.903 1.446 . . . . 39.25 114.903 -176.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 . . . . . 0 C--N 1.358 0.965 0 O-C-N 124.732 1.27 . . . . 34.05 112.066 -175.104 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1232 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1003 ' ' HOH . . . . . 0.849 ' O ' HG21 ' B' ' 199' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_