data_3snk_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 3snk _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 ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 118.931 -0.557 . . . . 97.9 109.884 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -70.56 141.2 51.85 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.807 0.843 . . . . 133.62 110.833 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -78.28 116.44 18.71 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.038 0.535 . . . . 75.44 110.271 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.62 134.35 54.14 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.417 0.627 . . . . 111.38 111.09 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -126.5 120.74 57.09 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 C-N-CA 126.186 1.795 . . . . 55.13 106.638 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.03 119.22 38.42 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.871 -1.529 . . . . 51.79 106.871 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.2 tp -110.81 129.44 55.85 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.295 1.038 . . . . 62.82 109.335 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.53 121.86 34.89 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.003 -1.11 . . . . 54.7 108.003 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -163.55 146.62 10.09 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.006 0.922 . . . . 73.87 112.227 -176.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.5 m -105.51 7.31 32.92 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 109.238 -0.652 . . . . 86.68 109.238 174.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.33 109.62 59.28 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 124.214 1.005 . . . . 76.72 109.411 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.5 -30.52 79.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 N-CA-C 115.164 1.178 . . . . 76.47 115.164 -178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.23 -43.76 69.94 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.598 0.635 . . . . 97.67 110.099 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.37 -45.35 91.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.612 1.565 . . . . 60.82 110.809 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -56.48 -54.94 39.86 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.807 1.243 . . . . 94.57 110.06 -179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -58.74 -48.4 81.32 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.907 1.283 . . . . 73.8 110.727 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.76 -42.21 74.18 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.957 0.725 . . . . 92.7 112.957 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.45 -45.34 78.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 118.491 -0.766 . . . . 49.15 110.459 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.16 97.52 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.826 0.739 . . . . 50.37 110.812 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -61.39 -49.74 75.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.228 0.611 . . . . 57.22 109.945 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -56.61 -47.4 79.7 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.818 0.673 . . . . 126.4 112.818 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -75.88 -36.87 59.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 118.792 -0.623 . . . . 55.92 111.803 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -69.07 -29.3 67.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.186 -0.911 . . . . 68.81 111.138 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.0 -24.76 65.16 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-N 118.928 0.786 . . . . 72.61 110.407 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.8 mt -76.43 -10.05 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.061 0.944 . . . . 71.35 111.76 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.14 -19.37 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.484 3.114 . . . . 71.21 115.759 174.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.2 pt -87.8 12.58 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.199 0.909 . . . . 79.16 112.537 -178.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -128.73 133.71 48.21 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.19 0.811 . . . . 74.4 113.19 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.17 91.06 4.58 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.315 -2.106 . . . . 101.25 105.315 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -93.36 118.82 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 114.593 1.331 . . . . 63.88 114.593 -172.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -103.9 135.46 45.38 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 106.698 -1.593 . . . . 117.37 106.698 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.7 t -116.77 139.73 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 123.727 0.811 . . . . 64.78 109.524 -177.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -151.59 165.74 33.36 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.362 1.065 . . . . 72.36 112.651 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -64.84 147.89 52.39 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.823 1.649 . . . . 72.09 109.456 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.9 m -49.7 -47.56 50.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.809 1.644 . . . . 81.21 111.658 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.23 -13.45 61.98 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.541 1.311 . . . . 106.28 114.541 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.7 -15.92 63.25 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-N 119.578 1.081 . . . . 91.77 111.203 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.09 -37.28 84.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.055 0.542 . . . . 51.64 109.749 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.55 -20.75 63.62 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.732 1.213 . . . . 67.41 113.084 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -79.28 -18.68 52.23 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 123.726 0.811 . . . . 119.27 112.347 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.52 -179.6 53.35 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.152 -0.779 . . . . 56.75 111.152 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -72.72 143.19 37.09 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 CA-C-N 118.267 1.034 . . . . 66.03 113.811 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -70.99 151.25 61.91 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 119.563 0.88 . . . . 83.23 110.043 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.76 67.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.354 0.662 . . . . 95.74 112.634 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -79.71 -6.86 58.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.467 1.107 . . . . 119.64 113.181 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.3 p -110.79 172.79 6.66 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.14 1.163 . . . . 93.1 114.14 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . . . -140.96 82.99 14.51 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 126.352 1.861 . . . . 84.98 106.306 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.95 143.94 86.64 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 119.189 0.746 . . . . 77.48 113.752 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.14 -49.53 0.93 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.927 -1.669 . . . . 61.15 108.927 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 mt -141.53 143.73 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 C-N-CA 126.068 1.747 . . . . 65.38 109.598 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -113.38 136.4 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.157 -1.053 . . . . 44.32 108.157 172.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -118.12 116.43 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 N-CA-C 105.856 -1.905 . . . . 55.36 105.856 174.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 tp -115.76 113.76 23.87 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.265 -0.974 . . . . 50.04 109.948 -175.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.83 103.7 16.23 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 107.957 -1.127 . . . . 61.45 107.957 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.83 -22.21 37.17 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.575 1.15 . . . . 65.2 112.422 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.17 -123.88 33.68 Favored Glycine 0 N--CA 1.468 0.767 0 N-CA-C 110.268 -1.133 . . . . 66.02 110.268 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.67 -6.22 54.3 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.564 0.602 . . . . 71.66 114.268 174.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.62 24.48 30.52 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 116.121 1.208 . . . . 70.26 116.121 178.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.13 -42.32 90.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.625 1.17 . . . . 105.16 110.967 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.89 -29.59 70.88 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.727 1.211 . . . . 67.14 112.674 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -68.27 -17.56 64.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.988 0.915 . . . . 62.72 113.06 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.97 0.31 72.58 Favored Glycine 0 C--N 1.333 0.37 0 O-C-N 123.68 0.613 . . . . 69.72 113.203 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.66 129.89 78.06 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 117.82 0.81 . . . . 114.82 109.568 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.39 -45.65 22.08 Favored 'Trans proline' 0 C--N 1.358 1.063 0 N-CA-C 119.362 2.793 . . . . 76.73 119.362 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.97 31.75 7.89 Favored Glycine 0 N--CA 1.47 0.949 0 C-N-CA 117.678 -2.201 . . . . 58.88 116.254 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.72 -44.68 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 114.935 1.457 . . . . 55.56 114.935 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.52 -34.48 62.04 Favored 'Isoleucine or valine' 0 C--O 1.247 0.957 0 CA-C-N 119.213 0.915 . . . . 46.15 110.007 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -70.45 -38.38 74.49 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.179 0.924 . . . . 63.02 109.32 177.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.47 74.03 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 119.046 -0.502 . . . . 46.58 110.217 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -61.02 -37.77 83.71 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.737 -0.838 . . . . 40.31 108.737 177.308 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.31 -17.42 62.52 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 118.451 -0.785 . . . . 40.46 112.491 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.87 -29.45 69.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.51 1.05 . . . . 50.99 110.019 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -85.64 1.95 47.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.477 1.911 . . . . 46.78 111.402 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 51.83 -135.52 1.46 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.312 1.845 . . . . 46.46 109.434 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.4 p -101.7 33.37 3.01 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 118.26 -1.376 . . . . 53.59 113.976 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' O ' ' NH1' ' A' ' 81' ' ' ARG . 10.0 m -69.11 142.21 92.7 Favored Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 117.311 -1.756 . . . . 45.33 107.172 175.67 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.5 141.49 90.21 Favored 'Trans proline' 0 C--O 1.248 0.984 0 CA-C-N 119.088 0.71 . . . . 48.07 111.476 174.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.37 124.59 44.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.945 -1.025 . . . . 45.1 108.767 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.6 mt -106.17 118.36 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 105.382 -2.081 . . . . 54.4 105.382 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.95 133.16 44.72 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 123.851 0.72 . . . . 47.28 110.219 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -120.96 127.03 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 105.756 -1.942 . . . . 53.53 105.756 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 p -152.21 168.13 26.33 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 120.229 -0.589 . . . . 63.78 110.584 178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -85.63 -164.48 1.02 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 103.393 -2.817 . . . . 86.75 103.393 169.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.63 143.19 54.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.038 1.29 . . . . 119.66 110.226 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -116.93 161.96 18.52 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.37 1.068 . . . . 63.12 111.724 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 81.7 p -84.14 170.13 14.13 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 107.426 -1.324 . . . . 79.46 107.426 173.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.6 p -60.78 -39.98 90.87 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.891 0.876 . . . . 94.39 111.597 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.38 -39.05 93.11 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.176 1.39 . . . . 126.84 109.358 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -74.01 -34.48 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 118.749 -0.643 . . . . 73.77 110.656 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -66.5 -34.05 77.05 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 108.566 -0.901 . . . . 66.36 108.566 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -60.15 -44.78 94.71 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.742 1.617 . . . . 99.68 111.749 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.25 -46.84 83.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.45 -1.315 . . . . 55.83 107.45 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.67 -42.05 82.82 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 124.095 0.872 . . . . 47.09 110.594 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.34 -46.02 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 108.921 -0.77 . . . . 43.1 108.921 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -66.76 -26.13 66.83 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 119.239 -0.41 . . . . 90.61 111.976 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' MSE . . . . . . . . . . . . . 59.4 mtp -74.25 -8.01 54.71 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.568 0.581 . . . . 69.3 112.568 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 52.52 58.42 5.41 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.856 0.836 . . . . 43.49 112.657 170.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.01 143.61 28.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.051 -0.977 . . . . 50.3 108.42 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.1 p -79.29 -33.93 42.91 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.631 -0.507 . . . . 68.65 109.631 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -132.72 141.73 48.7 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.244 0.34 . . . . 70.67 111.705 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -113.8 95.31 5.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.026 1.331 . . . . 56.3 109.774 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.1 mt -96.12 140.71 30.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.928 0.331 . . . . 59.17 110.203 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -105.28 130.87 53.31 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.978 1.311 . . . . 82.76 109.737 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.5 138.56 74.39 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.501 1.52 . . . . 93.78 112.22 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.75 128.13 16.18 Favored 'Cis proline' 0 C--N 1.361 1.197 0 CA-C-N 120.172 1.097 . . . . 94.36 111.321 -1.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp -79.91 139.94 36.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 118.489 -1.285 . . . . 93.66 110.801 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -81.52 158.5 24.45 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.697 -1.223 . . . . 116.69 107.697 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.1 -55.2 27.34 Favored Glycine 0 C--O 1.238 0.384 0 C-N-CA 124.042 0.829 . . . . 91.2 113.276 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . . . -53.42 -46.14 69.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.177 1.791 . . . . 88.25 113.634 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.62 -39.81 89.58 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.261 1.424 . . . . 104.05 112.44 -177.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.7 tp -72.44 -45.93 57.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 119.03 -0.51 . . . . 72.25 110.511 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.6 mt -65.16 -31.99 73.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 118.52 -0.752 . . . . 78.96 110.676 -179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.66 -42.14 82.64 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 118.351 0.523 . . . . 98.57 110.129 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.64 80.63 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.352 0.661 . . . . 61.32 111.516 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 88.3 t -71.74 -45.9 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 CA-C-O 118.768 -0.634 . . . . 65.47 111.875 -178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.4 p -70.56 -23.69 62.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.098 -0.953 . . . . 79.75 112.809 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -58.72 -33.42 70.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.817 0.847 . . . . 80.8 110.632 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -89.54 5.81 43.87 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 119.118 -0.467 . . . . 70.57 112.189 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.36 1.039 0 C-N-CA 122.928 0.491 . . . . 120.84 110.405 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 118.931 -0.557 . . . . 97.900000000000006 109.884 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -70.56 141.2 51.85 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.807 0.843 . . . . 133.62 110.833 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -78.28 116.44 18.71 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.038 0.535 . . . . 75.439999999999998 110.271 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.62 134.35 54.14 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.417 0.627 . . . . 111.38 111.09 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -126.5 120.74 57.09 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 C-N-CA 126.186 1.795 . . . . 55.130000000000003 106.638 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.03 119.22 38.42 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.871 -1.529 . . . . 51.789999999999999 106.871 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD23 HG22 ' A' ' 43' ' ' VAL . 53.2 tp -110.81 129.44 55.85 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.295 1.038 . . . . 62.82 109.335 -179.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.53 121.86 34.89 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.003 -1.11 . . . . 54.700000000000003 108.003 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -163.55 146.62 10.09 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.006 0.922 . . . . 73.870000000000005 112.227 -176.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.5 m -105.51 7.31 32.92 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 109.238 -0.652 . . . . 86.680000000000007 109.238 174.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.33 109.62 59.28 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 124.214 1.005 . . . . 76.719999999999999 109.411 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.5 -30.52 79.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 N-CA-C 115.164 1.178 . . . . 76.469999999999999 115.164 -178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.23 -43.76 69.94 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.598 0.635 . . . . 97.670000000000002 110.099 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.37 -45.35 91.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.612 1.565 . . . . 60.82 110.809 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -56.48 -54.94 39.86 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.807 1.243 . . . . 94.569999999999993 110.06 -179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -58.74 -48.4 81.32 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.907 1.283 . . . . 73.799999999999997 110.727 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.76 -42.21 74.18 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.957 0.725 . . . . 92.700000000000003 112.957 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.45 -45.34 78.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 118.491 -0.766 . . . . 49.149999999999999 110.459 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.16 97.52 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.826 0.739 . . . . 50.369999999999997 110.812 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -61.39 -49.74 75.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.228 0.611 . . . . 57.219999999999999 109.945 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -56.61 -47.4 79.7 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.818 0.673 . . . . 126.40000000000001 112.818 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -75.88 -36.87 59.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 118.792 -0.623 . . . . 55.920000000000002 111.803 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -69.07 -29.3 67.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.186 -0.911 . . . . 68.810000000000002 111.138 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.0 -24.76 65.16 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-N 118.928 0.786 . . . . 72.609999999999999 110.407 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.657 HD11 HD22 ' A' ' 123' ' ' LEU . 95.8 mt -76.43 -10.05 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.061 0.944 . . . . 71.349999999999994 111.76 176.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.14 -19.37 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.484 3.114 . . . . 71.209999999999994 115.759 174.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.2 pt -87.8 12.58 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.199 0.909 . . . . 79.159999999999997 112.537 -178.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -128.73 133.71 48.21 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.19 0.811 . . . . 74.400000000000006 113.19 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.17 91.06 4.58 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.315 -2.106 . . . . 101.25 105.315 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -93.36 118.82 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 114.593 1.331 . . . . 63.880000000000003 114.593 -172.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -103.9 135.46 45.38 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 106.698 -1.593 . . . . 117.37 106.698 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG22 HD23 ' A' ' 18' ' ' LEU . 89.7 t -116.77 139.73 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 123.727 0.811 . . . . 64.780000000000001 109.524 -177.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -151.59 165.74 33.36 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.362 1.065 . . . . 72.359999999999999 112.651 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -64.84 147.89 52.39 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.823 1.649 . . . . 72.090000000000003 109.456 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.9 m -49.7 -47.56 50.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.809 1.644 . . . . 81.209999999999994 111.658 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.23 -13.45 61.98 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.541 1.311 . . . . 106.28 114.541 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.7 -15.92 63.25 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-N 119.578 1.081 . . . . 91.769999999999996 111.203 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.09 -37.28 84.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.055 0.542 . . . . 51.640000000000001 109.749 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.55 -20.75 63.62 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.732 1.213 . . . . 67.409999999999997 113.084 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -79.28 -18.68 52.23 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 123.726 0.811 . . . . 119.27 112.347 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.52 -179.6 53.35 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.152 -0.779 . . . . 56.75 111.152 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -72.72 143.19 37.09 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 CA-C-N 118.267 1.034 . . . . 66.030000000000001 113.811 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -70.99 151.25 61.91 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 119.563 0.88 . . . . 83.230000000000004 110.043 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.76 67.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.354 0.662 . . . . 95.739999999999995 112.634 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -79.71 -6.86 58.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.467 1.107 . . . . 119.64 113.181 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.3 p -110.79 172.79 6.66 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.14 1.163 . . . . 93.099999999999994 114.14 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . . . -140.96 82.99 14.51 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 126.352 1.861 . . . . 84.980000000000004 106.306 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.95 143.94 86.64 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 119.189 0.746 . . . . 77.480000000000004 113.752 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . 0.508 ' O ' ' HD2' ' A' ' 88' ' ' PRO . . . -106.14 -49.53 0.93 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.927 -1.669 . . . . 61.149999999999999 108.927 177.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . 0.522 HD13 HG13 ' A' ' 126' ' ' VAL . 13.1 mt -141.53 143.73 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 C-N-CA 126.068 1.747 . . . . 65.379999999999995 109.598 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -113.38 136.4 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.157 -1.053 . . . . 44.32 108.157 172.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -118.12 116.43 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 N-CA-C 105.856 -1.905 . . . . 55.359999999999999 105.856 174.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 tp -115.76 113.76 23.87 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.265 -0.974 . . . . 50.039999999999999 109.948 -175.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.83 103.7 16.23 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 107.957 -1.127 . . . . 61.450000000000003 107.957 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.83 -22.21 37.17 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.575 1.15 . . . . 65.200000000000003 112.422 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.17 -123.88 33.68 Favored Glycine 0 N--CA 1.468 0.767 0 N-CA-C 110.268 -1.133 . . . . 66.019999999999996 110.268 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.67 -6.22 54.3 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.564 0.602 . . . . 71.659999999999997 114.268 174.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.62 24.48 30.52 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 116.121 1.208 . . . . 70.260000000000005 116.121 178.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.13 -42.32 90.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.625 1.17 . . . . 105.16 110.967 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.89 -29.59 70.88 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.727 1.211 . . . . 67.140000000000001 112.674 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -68.27 -17.56 64.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.988 0.915 . . . . 62.719999999999999 113.06 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.97 0.31 72.58 Favored Glycine 0 C--N 1.333 0.37 0 O-C-N 123.68 0.613 . . . . 69.719999999999999 113.203 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.66 129.89 78.06 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 117.82 0.81 . . . . 114.81999999999999 109.568 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.39 -45.65 22.08 Favored 'Trans proline' 0 C--N 1.358 1.063 0 N-CA-C 119.362 2.793 . . . . 76.730000000000004 119.362 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.97 31.75 7.89 Favored Glycine 0 N--CA 1.47 0.949 0 C-N-CA 117.678 -2.201 . . . . 58.880000000000003 116.254 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.72 -44.68 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 114.935 1.457 . . . . 55.560000000000002 114.935 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.52 -34.48 62.04 Favored 'Isoleucine or valine' 0 C--O 1.247 0.957 0 CA-C-N 119.213 0.915 . . . . 46.149999999999999 110.007 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -70.45 -38.38 74.49 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.179 0.924 . . . . 63.020000000000003 109.32 177.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.47 74.03 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 119.046 -0.502 . . . . 46.579999999999998 110.217 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -37.77 83.71 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.737 -0.838 . . . . 57.329999999999998 108.737 177.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.31 -17.42 62.52 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 118.451 -0.785 . . . . 40.460000000000001 112.491 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.87 -29.45 69.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.51 1.05 . . . . 50.990000000000002 110.019 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -85.64 1.95 47.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.477 1.911 . . . . 46.780000000000001 111.402 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 51.83 -135.52 1.46 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.312 1.845 . . . . 46.460000000000001 109.434 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.4 p -101.7 33.37 3.01 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 118.26 -1.376 . . . . 53.590000000000003 113.976 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 m -69.11 142.21 92.7 Favored Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 117.311 -1.756 . . . . 45.329999999999998 107.172 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PRO . . . . . 0.508 ' HD2' ' O ' ' A' ' 60' ' ' GLY . 39.6 Cg_exo -56.5 141.49 90.21 Favored 'Trans proline' 0 C--O 1.248 0.984 0 CA-C-N 119.088 0.71 . . . . 48.07 111.476 174.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.37 124.59 44.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.945 -1.025 . . . . 45.100000000000001 108.767 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.6 mt -106.17 118.36 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 105.382 -2.081 . . . . 54.399999999999999 105.382 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.95 133.16 44.72 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 123.851 0.72 . . . . 47.280000000000001 110.219 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -120.96 127.03 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 105.756 -1.942 . . . . 53.530000000000001 105.756 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 p -152.21 168.13 26.33 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 120.229 -0.589 . . . . 63.780000000000001 110.584 178.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -85.63 -164.48 1.02 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 103.393 -2.817 . . . . 86.75 103.393 169.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.63 143.19 54.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.038 1.29 . . . . 119.66 110.226 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -116.93 161.96 18.52 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.37 1.068 . . . . 63.119999999999997 111.724 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 81.7 p -84.14 170.13 14.13 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 107.426 -1.324 . . . . 79.459999999999994 107.426 173.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.6 p -60.78 -39.98 90.87 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.891 0.876 . . . . 94.390000000000001 111.597 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.38 -39.05 93.11 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.176 1.39 . . . . 126.84 109.358 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -74.01 -34.48 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 118.749 -0.643 . . . . 73.769999999999996 110.656 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -66.5 -34.05 77.05 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 108.566 -0.901 . . . . 66.359999999999999 108.566 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -60.15 -44.78 94.71 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.742 1.617 . . . . 99.680000000000007 111.749 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.25 -46.84 83.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.45 -1.315 . . . . 55.829999999999998 107.45 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.67 -42.05 82.82 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 124.095 0.872 . . . . 47.090000000000003 110.594 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.34 -46.02 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 108.921 -0.77 . . . . 43.100000000000001 108.921 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -66.76 -26.13 66.83 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 119.239 -0.41 . . . . 90.609999999999999 111.976 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' MSE . . . . . . . . . . . . . 59.4 mtp -74.25 -8.01 54.71 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.568 0.581 . . . . 69.299999999999997 112.568 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 52.52 58.42 5.41 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.856 0.836 . . . . 43.490000000000002 112.657 170.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.01 143.61 28.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.051 -0.977 . . . . 50.299999999999997 108.42 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.1 p -79.29 -33.93 42.91 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.631 -0.507 . . . . 68.650000000000006 109.631 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -132.72 141.73 48.7 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.244 0.34 . . . . 70.670000000000002 111.705 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -113.8 95.31 5.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.026 1.331 . . . . 56.299999999999997 109.774 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.1 mt -96.12 140.71 30.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.928 0.331 . . . . 59.170000000000002 110.203 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -105.28 130.87 53.31 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.978 1.311 . . . . 82.760000000000005 109.737 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.5 138.56 74.39 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.501 1.52 . . . . 93.780000000000001 112.22 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.75 128.13 16.18 Favored 'Cis proline' 0 C--N 1.361 1.197 0 CA-C-N 120.172 1.097 . . . . 94.359999999999999 111.321 -1.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp -79.91 139.94 36.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 118.489 -1.285 . . . . 93.659999999999997 110.801 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -81.52 158.5 24.45 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.697 -1.223 . . . . 116.69 107.697 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.1 -55.2 27.34 Favored Glycine 0 C--O 1.238 0.384 0 C-N-CA 124.042 0.829 . . . . 91.200000000000003 113.276 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . . . -53.42 -46.14 69.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.177 1.791 . . . . 88.25 113.634 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.62 -39.81 89.58 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.261 1.424 . . . . 104.05 112.44 -177.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.7 tp -72.44 -45.93 57.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 119.03 -0.51 . . . . 72.25 110.511 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LEU . . . . . 0.657 HD22 HD11 ' A' ' 36' ' ' LEU . 39.6 mt -65.16 -31.99 73.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 118.52 -0.752 . . . . 78.959999999999994 110.676 -179.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.66 -42.14 82.64 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 118.351 0.523 . . . . 98.569999999999993 110.129 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.64 80.63 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.352 0.661 . . . . 61.32 111.516 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' VAL . . . . . 0.522 HG13 HD13 ' A' ' 61' ' ' ILE . 88.3 t -71.74 -45.9 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 CA-C-O 118.768 -0.634 . . . . 65.469999999999999 111.875 -178.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.4 p -70.56 -23.69 62.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.098 -0.953 . . . . 79.75 112.809 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -58.72 -33.42 70.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.817 0.847 . . . . 80.799999999999997 110.632 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -89.54 5.81 43.87 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 119.118 -0.467 . . . . 70.569999999999993 112.189 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.36 1.039 0 C-N-CA 122.928 0.491 . . . . 120.84 110.405 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.472 0 CA-C-O 118.931 -0.557 . . . . 97.9 109.884 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.1 mtm180 -70.56 141.2 51.85 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.807 0.843 . . . . 133.62 110.833 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -78.28 116.44 18.71 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.038 0.535 . . . . 75.44 110.271 179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.62 134.35 54.14 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.417 0.627 . . . . 111.38 111.09 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.4 t -126.5 120.74 57.09 Favored 'Isoleucine or valine' 0 C--O 1.249 1.049 0 C-N-CA 126.186 1.795 . . . . 55.13 106.638 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.03 119.22 38.42 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.871 -1.529 . . . . 51.79 106.871 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD23 HG22 ' A' ' 43' ' ' VAL . 53.2 tp -110.81 129.44 55.85 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.295 1.038 . . . . 62.82 109.335 -179.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -125.53 121.86 34.89 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 108.003 -1.11 . . . . 54.7 108.003 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.4 t -163.55 146.62 10.09 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 124.006 0.922 . . . . 73.87 112.227 -176.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.5 m -105.51 7.31 32.92 Favored 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 109.238 -0.652 . . . . 86.68 109.238 174.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -101.33 109.62 59.28 Favored Pre-proline 0 C--N 1.356 0.867 0 C-N-CA 124.214 1.005 . . . . 76.72 109.411 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.5 -30.52 79.94 Favored 'Trans proline' 0 C--N 1.356 0.936 0 N-CA-C 115.164 1.178 . . . . 76.47 115.164 -178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -70.23 -43.76 69.94 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 118.598 0.635 . . . . 97.67 110.099 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -63.37 -45.35 91.55 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.612 1.565 . . . . 60.82 110.809 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -56.48 -54.94 39.86 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.807 1.243 . . . . 94.57 110.06 -179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -58.74 -48.4 81.32 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.907 1.283 . . . . 73.8 110.727 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -69.76 -42.21 74.18 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 112.957 0.725 . . . . 92.7 112.957 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -69.45 -45.34 78.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 118.491 -0.766 . . . . 49.15 110.459 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.16 97.52 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.826 0.739 . . . . 50.37 110.812 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.1 m -61.39 -49.74 75.69 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.228 0.611 . . . . 57.22 109.945 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -56.61 -47.4 79.7 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.818 0.673 . . . . 126.4 112.818 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.1 mt -75.88 -36.87 59.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 118.792 -0.623 . . . . 55.92 111.803 -175.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -69.07 -29.3 67.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 118.186 -0.911 . . . . 68.81 111.138 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.0 -24.76 65.16 Favored 'General case' 0 C--N 1.366 1.303 0 CA-C-N 118.928 0.786 . . . . 72.61 110.407 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.657 HD11 HD22 ' A' ' 123' ' ' LEU . 95.8 mt -76.43 -10.05 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.061 0.944 . . . . 71.35 111.76 176.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.14 -19.37 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.484 3.114 . . . . 71.21 115.759 174.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 38.2 pt -87.8 12.58 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.199 0.909 . . . . 79.16 112.537 -178.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -128.73 133.71 48.21 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.19 0.811 . . . . 74.4 113.19 -178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -100.17 91.06 4.58 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 105.315 -2.106 . . . . 101.25 105.315 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.6 t -93.36 118.82 40.01 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 N-CA-C 114.593 1.331 . . . . 63.88 114.593 -172.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.2 ttp85 -103.9 135.46 45.38 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 106.698 -1.593 . . . . 117.37 106.698 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG22 HD23 ' A' ' 18' ' ' LEU . 89.7 t -116.77 139.73 42.37 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.225 0 C-N-CA 123.727 0.811 . . . . 64.78 109.524 -177.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.7 m -151.59 165.74 33.36 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.362 1.065 . . . . 72.36 112.651 -177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . . . -64.84 147.89 52.39 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.823 1.649 . . . . 72.09 109.456 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.9 m -49.7 -47.56 50.3 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 125.809 1.644 . . . . 81.21 111.658 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -67.23 -13.45 61.98 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.541 1.311 . . . . 106.28 114.541 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.7 -15.92 63.25 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-N 119.578 1.081 . . . . 91.77 111.203 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.09 -37.28 84.46 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.055 0.542 . . . . 51.64 109.749 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.55 -20.75 63.62 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.732 1.213 . . . . 67.41 113.084 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -79.28 -18.68 52.23 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 123.726 0.811 . . . . 119.27 112.347 -178.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.52 -179.6 53.35 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 111.152 -0.779 . . . . 56.75 111.152 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -72.72 143.19 37.09 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 CA-C-N 118.267 1.034 . . . . 66.03 113.811 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -70.99 151.25 61.91 Favored 'Trans proline' 0 C--N 1.354 0.843 0 CA-C-N 119.563 0.88 . . . . 83.23 110.043 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.28 -22.76 67.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.354 0.662 . . . . 95.74 112.634 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -79.71 -6.86 58.06 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.467 1.107 . . . . 119.64 113.181 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 32.3 p -110.79 172.79 6.66 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.14 1.163 . . . . 93.1 114.14 -176.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . . . -140.96 82.99 14.51 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 126.352 1.861 . . . . 84.98 106.306 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.95 143.94 86.64 Favored 'Trans proline' 0 C--N 1.361 1.188 0 CA-C-N 119.189 0.746 . . . . 77.48 113.752 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.508 ' O ' ' HD2' ' A' ' 88' ' ' PRO . . . -106.14 -49.53 0.93 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.927 -1.669 . . . . 61.15 108.927 177.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.522 HD13 HG13 ' A' ' 126' ' ' VAL . 13.1 mt -141.53 143.73 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.076 0 C-N-CA 126.068 1.747 . . . . 65.38 109.598 -178.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -113.38 136.4 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.157 -1.053 . . . . 44.32 108.157 172.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 76.6 mt -118.12 116.43 51.49 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 N-CA-C 105.856 -1.905 . . . . 55.36 105.856 174.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 tp -115.76 113.76 23.87 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.265 -0.974 . . . . 50.04 109.948 -175.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -88.83 103.7 16.23 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 107.957 -1.127 . . . . 61.45 107.957 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.1 mt -81.83 -22.21 37.17 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.575 1.15 . . . . 65.2 112.422 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.17 -123.88 33.68 Favored Glycine 0 N--CA 1.468 0.767 0 N-CA-C 110.268 -1.133 . . . . 66.02 110.268 -178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.67 -6.22 54.3 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 123.564 0.602 . . . . 71.66 114.268 174.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.62 24.48 30.52 Favored Glycine 0 C--N 1.343 0.935 0 N-CA-C 116.121 1.208 . . . . 70.26 116.121 178.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.13 -42.32 90.34 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.625 1.17 . . . . 105.16 110.967 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.89 -29.59 70.88 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.727 1.211 . . . . 67.14 112.674 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.7 mt -68.27 -17.56 64.32 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.988 0.915 . . . . 62.72 113.06 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.97 0.31 72.58 Favored Glycine 0 C--N 1.333 0.37 0 O-C-N 123.68 0.613 . . . . 69.72 113.203 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -76.66 129.89 78.06 Favored Pre-proline 0 C--N 1.348 0.531 0 CA-C-N 117.82 0.81 . . . . 114.82 109.568 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.39 -45.65 22.08 Favored 'Trans proline' 0 C--N 1.358 1.063 0 N-CA-C 119.362 2.793 . . . . 76.73 119.362 -172.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.97 31.75 7.89 Favored Glycine 0 N--CA 1.47 0.949 0 C-N-CA 117.678 -2.201 . . . . 58.88 116.254 -178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.3 tp -59.72 -44.68 94.25 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.223 0 N-CA-C 114.935 1.457 . . . . 55.56 114.935 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.52 -34.48 62.04 Favored 'Isoleucine or valine' 0 C--O 1.247 0.957 0 CA-C-N 119.213 0.915 . . . . 46.15 110.007 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mp0 -70.45 -38.38 74.49 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.179 0.924 . . . . 63.02 109.32 177.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -32.47 74.03 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 119.046 -0.502 . . . . 46.58 110.217 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -37.77 83.71 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.737 -0.838 . . . . 57.33 108.737 177.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.31 -17.42 62.52 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-O 118.451 -0.785 . . . . 40.46 112.491 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.87 -29.45 69.9 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.51 1.05 . . . . 50.99 110.019 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -85.64 1.95 47.18 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.477 1.911 . . . . 46.78 111.402 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 51.83 -135.52 1.46 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.312 1.845 . . . . 46.46 109.434 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.4 p -101.7 33.37 3.01 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 118.26 -1.376 . . . . 53.59 113.976 -176.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.0 m -69.11 142.21 92.7 Favored Pre-proline 0 CA--C 1.56 1.361 0 C-N-CA 117.311 -1.756 . . . . 45.33 107.172 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.508 ' HD2' ' O ' ' A' ' 60' ' ' GLY . 39.6 Cg_exo -56.5 141.49 90.21 Favored 'Trans proline' 0 C--O 1.248 0.984 0 CA-C-N 119.088 0.71 . . . . 48.07 111.476 174.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.8 tp -121.37 124.59 44.9 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 114.945 -1.025 . . . . 45.1 108.767 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 63.6 mt -106.17 118.36 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 105.382 -2.081 . . . . 54.4 105.382 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -99.95 133.16 44.72 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 123.851 0.72 . . . . 47.28 110.219 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.2 t -120.96 127.03 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 N-CA-C 105.756 -1.942 . . . . 53.53 105.756 176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.7 p -152.21 168.13 26.33 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 120.229 -0.589 . . . . 63.78 110.584 178.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -85.63 -164.48 1.02 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 103.393 -2.817 . . . . 86.75 103.393 169.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.63 143.19 54.9 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 120.038 1.29 . . . . 119.66 110.226 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -116.93 161.96 18.52 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.37 1.068 . . . . 63.12 111.724 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 81.7 p -84.14 170.13 14.13 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 107.426 -1.324 . . . . 79.46 107.426 173.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.6 p -60.78 -39.98 90.87 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.891 0.876 . . . . 94.39 111.597 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.38 -39.05 93.11 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.176 1.39 . . . . 126.84 109.358 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -74.01 -34.48 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 118.749 -0.643 . . . . 73.77 110.656 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.3 m -66.5 -34.05 77.05 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 108.566 -0.901 . . . . 66.36 108.566 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -60.15 -44.78 94.71 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.742 1.617 . . . . 99.68 111.749 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.9 t -67.25 -46.84 83.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.45 -1.315 . . . . 55.83 107.45 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.67 -42.05 82.82 Favored 'General case' 0 C--N 1.366 1.286 0 O-C-N 124.095 0.872 . . . . 47.09 110.594 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.34 -46.02 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 N-CA-C 108.921 -0.77 . . . . 43.1 108.921 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -66.76 -26.13 66.83 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-O 119.239 -0.41 . . . . 90.61 111.976 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' MSE . . . . . . . . . . . . . 59.4 mtp -74.25 -8.01 54.71 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 112.568 0.581 . . . . 69.3 112.568 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 52.52 58.42 5.41 Favored 'General case' 0 CA--C 1.557 1.236 0 CA-C-O 121.856 0.836 . . . . 43.49 112.657 170.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.01 143.61 28.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.051 -0.977 . . . . 50.3 108.42 175.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.1 p -79.29 -33.93 42.91 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.631 -0.507 . . . . 68.65 109.631 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -132.72 141.73 48.7 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.244 0.34 . . . . 70.67 111.705 -179.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -113.8 95.31 5.26 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.026 1.331 . . . . 56.3 109.774 175.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.1 mt -96.12 140.71 30.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.928 0.331 . . . . 59.17 110.203 -178.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -105.28 130.87 53.31 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.978 1.311 . . . . 82.76 109.737 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.5 138.56 74.39 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.501 1.52 . . . . 93.78 112.22 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.75 128.13 16.18 Favored 'Cis proline' 0 C--N 1.361 1.197 0 CA-C-N 120.172 1.097 . . . . 94.36 111.321 -1.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp -79.91 139.94 36.91 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 118.489 -1.285 . . . . 93.66 110.801 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -81.52 158.5 24.45 Favored 'General case' 0 C--O 1.244 0.8 0 N-CA-C 107.697 -1.223 . . . . 116.69 107.697 176.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -54.1 -55.2 27.34 Favored Glycine 0 C--O 1.238 0.384 0 C-N-CA 124.042 0.829 . . . . 91.2 113.276 -179.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . . . -53.42 -46.14 69.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.177 1.791 . . . . 88.25 113.634 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.62 -39.81 89.58 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 125.261 1.424 . . . . 104.05 112.44 -177.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.7 tp -72.44 -45.93 57.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 119.03 -0.51 . . . . 72.25 110.511 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.657 HD22 HD11 ' A' ' 36' ' ' LEU . 39.6 mt -65.16 -31.99 73.46 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 118.52 -0.752 . . . . 78.96 110.676 -179.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -67.66 -42.14 82.64 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 118.351 0.523 . . . . 98.57 110.129 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.64 80.63 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.352 0.661 . . . . 61.32 111.516 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.522 HG13 HD13 ' A' ' 61' ' ' ILE . 88.3 t -71.74 -45.9 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.295 0 CA-C-O 118.768 -0.634 . . . . 65.47 111.875 -178.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 79.4 p -70.56 -23.69 62.65 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 118.098 -0.953 . . . . 79.75 112.809 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -58.72 -33.42 70.2 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.817 0.847 . . . . 80.8 110.632 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -89.54 5.81 43.87 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 119.118 -0.467 . . . . 70.57 112.189 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.36 1.039 0 C-N-CA 122.928 0.491 . . . . 120.84 110.405 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_