data_6i6y_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6i6y _Structure_validation_residue.Date_analyzed 2019-11-22 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 114.969 1.47 . . . . 125.09 114.969 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.92 -34.54 76.26 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.87 1.804 . . . . 126.66 115.87 173.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -65.45 -36.83 85.08 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.4 0.519 . . . . 178.48 112.4 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -34.1 56.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 N-CA-C 107.901 -1.148 . . . . 76.95 107.901 179.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -66.59 -40.75 89.04 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.607 0.717 . . . . 76.17 112.096 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -59.94 -47.03 87.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.363 0.665 . . . . 78.56 112.527 171.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 65.3 tp -54.91 -44.04 73.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.006 0.908 . . . . 80.6 111.076 176.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.69 88.07 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.457 -0.792 . . . . 58.23 110.091 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -70.85 -32.09 68.99 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.313 -0.625 . . . . 79.03 109.313 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.54 -54.06 27.9 Favored 'General case' 0 C--O 1.252 1.189 0 O-C-N 124.564 1.165 . . . . 75.52 108.657 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -57.71 -39.22 76.75 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.288 1.218 . . . . 63.39 114.288 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -59.78 -25.09 64.63 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 119.057 -0.497 . . . . 83.9 111.134 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.62 -34.23 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.325 0.39 . . . . 74.11 110.363 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -62.04 134.0 56.05 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-O 120.891 0.377 . . . . 68.65 110.188 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -50.23 -41.4 49.95 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 114.361 1.245 . . . . 117.38 114.361 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -80.65 -11.77 59.59 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.345 1.239 . . . . 57.22 114.345 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 201' ' ' HOH . 87.6 t -93.77 106.33 17.91 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.579 0 N-CA-C 105.251 -2.129 . . . . 54.02 105.251 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -77.95 -50.75 11.56 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.485 0.92 . . . . 137.3 113.485 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.83 145.93 33.66 Favored 'General case' 0 C--O 1.282 2.77 0 N-CA-C 107.744 -1.206 . . . . 129.31 107.744 -173.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -129.4 142.05 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 114.201 -1.363 . . . . 52.91 108.623 170.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 ttm -143.3 130.82 21.15 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.753 -0.658 . . . . 86.44 110.664 171.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.98 132.13 71.7 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 N-CA-C 106.715 -1.587 . . . . 51.86 106.715 -174.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.2 t -120.66 130.95 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 113.784 -1.553 . . . . 66.87 110.14 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.14 135.19 33.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.078 -1.082 . . . . 61.79 108.078 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.91 160.67 14.13 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 108.101 -1.074 . . . . 79.0 108.101 179.217 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -71.03 -21.36 62.28 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.734 1.383 . . . . 103.6 114.734 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -56.98 124.91 67.93 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.472 -1.307 . . . . 88.23 107.472 166.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -63.95 135.99 50.54 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 N-CA-C 115.296 1.229 . . . . 104.05 115.296 -174.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.37 -11.94 11.43 Favored Glycine 0 N--CA 1.483 1.769 0 N-CA-C 117.767 1.867 . . . . 75.11 117.767 -172.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -87.96 131.83 34.46 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.771 2.138 . . . . 80.09 116.771 -172.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -135.05 150.6 50.31 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.383 1.473 . . . . 73.12 109.905 177.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -118.04 133.08 56.25 Favored 'General case' 0 CA--C 1.449 -2.908 0 CA-C-N 113.852 -1.522 . . . . 88.21 112.853 169.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.4 114.5 44.04 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 O-C-N 126.091 2.119 . . . . 53.38 107.751 -170.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -98.44 126.35 43.94 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.742 -0.836 . . . . 65.62 108.742 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -125.39 132.59 70.86 Favored 'Isoleucine or valine' 0 C--O 1.27 2.16 0 CA-C-O 121.912 0.863 . . . . 54.46 108.897 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.35 118.53 58.38 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 0 CA-C-N 115.1 -0.954 . . . . 51.12 109.779 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.4 mt -93.33 153.66 18.42 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-N 114.607 -1.179 . . . . 50.44 114.156 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -34.98 123.07 0.58 Allowed Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 115.065 -0.971 . . . . 77.14 109.391 157.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.55 -7.76 19.85 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.256 1.304 . . . . 75.63 114.893 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -112.88 34.24 4.53 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.75 1.389 . . . . 90.0 114.75 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.45 143.65 40.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.257 0.551 . . . . 64.71 111.524 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.11 165.97 24.38 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 108.711 -0.848 . . . . 96.33 108.711 159.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -64.27 -30.9 71.93 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 114.095 1.146 . . . . 65.96 114.095 -175.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -64.51 -44.41 91.01 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.473 -0.785 . . . . 93.33 109.272 176.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.83 -42.62 76.92 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.663 -0.648 . . . . 91.29 110.889 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 tp -55.72 -48.36 75.3 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.479 0.548 . . . . 55.41 112.479 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.51 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.482 0.489 . . . . 56.64 111.078 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.74 -43.86 97.72 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 119.731 -0.787 . . . . 54.61 111.367 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.45 -46.15 87.58 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 109.968 -0.382 . . . . 66.36 109.968 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -59.28 -43.5 92.52 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 113.425 0.898 . . . . 92.05 113.425 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.2 -39.54 93.08 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 116.597 2.073 . . . . 138.44 116.597 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.66 -43.72 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 119.163 -0.446 . . . . 64.24 109.913 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mt -63.01 -47.84 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.719 -0.845 . . . . 56.36 108.719 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.75 -49.26 75.79 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.041 1.126 . . . . 68.63 114.041 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.19 -46.06 83.19 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 123.637 0.586 . . . . 120.79 112.176 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -35.14 77.55 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.021 0.826 . . . . 60.02 112.64 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 7' ' ' LEU . 35.9 mt -69.79 -49.65 50.81 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 123.653 0.595 . . . . 63.36 110.03 -179.551 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -59.69 -38.82 82.62 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 114.461 1.282 . . . . 120.57 114.461 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -64.3 -22.58 67.0 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.366 2.358 . . . . 122.5 117.366 174.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.33 -0.85 56.5 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 123.588 0.555 . . . . 105.5 111.191 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.56 3.64 59.63 Favored Glycine 0 C--N 1.339 0.743 0 CA-C-N 114.465 -1.243 . . . . 80.35 114.536 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.39 143.33 53.7 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.119 1.155 . . . . 66.72 114.119 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 115.71 30.71 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 104.881 -2.266 . . . . 94.66 104.881 170.382 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.37 120.54 34.75 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 109.464 -0.569 . . . . 56.92 109.464 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -98.41 -29.91 12.86 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 120.325 -0.55 . . . . 67.42 110.741 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -162.29 138.58 7.71 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 116.19 -0.459 . . . . 88.96 111.476 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.1 t -123.97 127.68 73.74 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 125.247 1.592 . . . . 70.55 108.729 172.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.1 116.25 24.64 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 114.71 -1.132 . . . . 115.09 110.215 172.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -79.74 102.94 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.888 -1.893 . . . . 96.28 105.888 165.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.4 mt -83.84 -26.24 29.66 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.309 -0.626 . . . . 59.27 109.309 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 -156.71 33.03 Favored Glycine 0 N--CA 1.434 -1.495 0 C-N-CA 120.344 -0.931 . . . . 47.64 112.542 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.97 125.85 27.96 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.754 -1.223 . . . . 68.31 111.572 -170.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.02 153.44 49.25 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 116.828 -0.169 . . . . 92.39 111.007 173.122 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -119.68 116.12 25.34 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.532 -0.914 . . . . 112.39 108.532 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.01 122.21 11.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.725 0.639 . . . . 63.2 112.725 168.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.92 -39.62 8.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.407 -0.96 . . . . 64.67 108.407 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -145.1 129.1 8.74 Favored Pre-proline 0 C--O 1.216 -0.676 0 N-CA-C 107.015 -1.476 . . . . 57.15 107.015 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -69.31 178.22 25.08 Favored 'Cis proline' 0 N--CA 1.505 2.196 0 O-C-N 122.773 0.881 . . . . 62.31 113.581 -5.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.25 123.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.263 1.787 0 N-CA-C 108.653 -0.869 . . . . 65.38 108.653 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.85 149.87 29.24 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 115.141 -0.936 . . . . 65.57 110.425 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -50.73 63.9 Favored 'General case' 0 CA--C 1.564 1.508 0 O-C-N 123.732 0.645 . . . . 101.95 112.503 168.194 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -116.26 86.36 17.38 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 122.516 0.326 . . . . 133.02 110.891 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.83 -8.96 18.17 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 N-CA-C 116.018 1.507 . . . . 78.16 116.018 -169.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -98.44 139.35 34.32 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 121.241 0.544 . . . . 124.34 109.865 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.97 167.62 34.86 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.748 -1.215 . . . . 55.46 111.515 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -101.86 106.67 17.67 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.406 -0.961 . . . . 54.94 108.406 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.98 131.98 34.42 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.386 1.625 . . . . 57.58 115.386 -172.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.6 mt -124.16 145.04 49.56 Favored 'General case' 0 C--O 1.247 0.973 0 C-N-CA 124.659 1.184 . . . . 57.01 109.096 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -131.63 135.78 47.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.325 -0.991 . . . . 62.91 108.325 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -130.67 129.39 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.943 -1.503 . . . . 58.38 106.943 -175.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -106.58 126.71 52.62 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 108.555 -0.905 . . . . 67.65 108.555 167.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.8 150.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 115.349 -0.841 . . . . 60.14 109.244 -168.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -111.31 120.67 43.0 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 115.508 -0.769 . . . . 94.08 111.41 170.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 78.8 mmm -84.63 156.61 61.74 Favored Pre-proline 0 N--CA 1.502 2.172 0 CA-C-O 118.536 -0.745 . . . . 85.11 112.737 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 N--CA 1.497 1.68 0 C-N-CA 116.066 -2.156 . . . . 92.67 116.231 -172.385 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 114.969 1.47 . . . . 125.09 114.969 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.92 -34.54 76.26 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.87 1.804 . . . . 126.66 115.87 173.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -65.45 -36.83 85.08 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.4 0.519 . . . . 178.48 112.4 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -34.1 56.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 N-CA-C 107.901 -1.148 . . . . 76.95 107.901 179.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -66.59 -40.75 89.04 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.607 0.717 . . . . 76.17 112.096 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -59.94 -47.03 87.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.363 0.665 . . . . 78.56 112.527 171.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.981 HD21 HD23 ' A' ' 57' ' ' LEU . 65.3 tp -54.91 -44.04 73.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.006 0.908 . . . . 80.6 111.076 176.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.69 88.07 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.457 -0.792 . . . . 58.23 110.091 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -70.85 -32.09 68.99 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.313 -0.625 . . . . 79.03 109.313 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.54 -54.06 27.9 Favored 'General case' 0 C--O 1.252 1.189 0 O-C-N 124.564 1.165 . . . . 75.52 108.657 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -57.71 -39.22 76.75 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.288 1.218 . . . . 63.39 114.288 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -59.78 -25.09 64.63 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 119.057 -0.497 . . . . 83.9 111.134 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.62 -34.23 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.325 0.39 . . . . 74.11 110.363 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -62.04 134.0 56.05 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-O 120.891 0.377 . . . . 68.65 110.188 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -50.23 -41.4 49.95 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 114.361 1.245 . . . . 117.38 114.361 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -80.65 -11.77 59.59 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.345 1.239 . . . . 57.22 114.345 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 201' ' ' HOH . 87.6 t -93.77 106.33 17.91 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.579 0 N-CA-C 105.251 -2.129 . . . . 54.02 105.251 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -77.95 -50.75 11.56 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.485 0.92 . . . . 137.3 113.485 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.83 145.93 33.66 Favored 'General case' 0 C--O 1.282 2.77 0 N-CA-C 107.744 -1.206 . . . . 129.31 107.744 -173.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -129.4 142.05 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 114.201 -1.363 . . . . 52.91 108.623 170.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 ttm -143.3 130.82 21.15 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.753 -0.658 . . . . 86.44 110.664 171.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.98 132.13 71.7 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 N-CA-C 106.715 -1.587 . . . . 51.86 106.715 -174.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.2 t -120.66 130.95 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 113.784 -1.553 . . . . 66.87 110.14 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.14 135.19 33.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.078 -1.082 . . . . 61.79 108.078 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.91 160.67 14.13 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 108.101 -1.074 . . . . 79.0 108.101 179.217 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -71.03 -21.36 62.28 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.734 1.383 . . . . 103.6 114.734 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -56.98 124.91 67.93 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.472 -1.307 . . . . 88.23 107.472 166.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -63.95 135.99 50.54 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 N-CA-C 115.296 1.229 . . . . 104.05 115.296 -174.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.37 -11.94 11.43 Favored Glycine 0 N--CA 1.483 1.769 0 N-CA-C 117.767 1.867 . . . . 75.11 117.767 -172.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -87.96 131.83 34.46 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.771 2.138 . . . . 80.09 116.771 -172.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -135.05 150.6 50.31 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.383 1.473 . . . . 73.12 109.905 177.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -118.04 133.08 56.25 Favored 'General case' 0 CA--C 1.449 -2.908 0 CA-C-N 113.852 -1.522 . . . . 88.21 112.853 169.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.4 114.5 44.04 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 O-C-N 126.091 2.119 . . . . 53.38 107.751 -170.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -98.44 126.35 43.94 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.742 -0.836 . . . . 65.62 108.742 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -125.39 132.59 70.86 Favored 'Isoleucine or valine' 0 C--O 1.27 2.16 0 CA-C-O 121.912 0.863 . . . . 54.46 108.897 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.35 118.53 58.38 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 0 CA-C-N 115.1 -0.954 . . . . 51.12 109.779 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.4 mt -93.33 153.66 18.42 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-N 114.607 -1.179 . . . . 50.44 114.156 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -34.98 123.07 0.58 Allowed Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 115.065 -0.971 . . . . 77.14 109.391 157.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.55 -7.76 19.85 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.256 1.304 . . . . 75.63 114.893 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -112.88 34.24 4.53 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.75 1.389 . . . . 90.0 114.75 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.45 143.65 40.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.257 0.551 . . . . 64.71 111.524 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.11 165.97 24.38 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 108.711 -0.848 . . . . 96.33 108.711 159.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -64.27 -30.9 71.93 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 114.095 1.146 . . . . 65.96 114.095 -175.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -64.51 -44.41 91.01 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.473 -0.785 . . . . 93.33 109.272 176.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.83 -42.62 76.92 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.663 -0.648 . . . . 91.29 110.889 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 tp -55.72 -48.36 75.3 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.479 0.548 . . . . 55.41 112.479 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.51 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.482 0.489 . . . . 56.64 111.078 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.74 -43.86 97.72 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 119.731 -0.787 . . . . 54.61 111.367 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.45 -46.15 87.58 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 109.968 -0.382 . . . . 66.36 109.968 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -59.28 -43.5 92.52 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 113.425 0.898 . . . . 92.05 113.425 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.2 -39.54 93.08 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 116.597 2.073 . . . . 138.44 116.597 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.66 -43.72 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 119.163 -0.446 . . . . 64.24 109.913 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mt -63.01 -47.84 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.719 -0.845 . . . . 56.36 108.719 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.75 -49.26 75.79 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.041 1.126 . . . . 68.63 114.041 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.19 -46.06 83.19 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 123.637 0.586 . . . . 120.79 112.176 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -35.14 77.55 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.021 0.826 . . . . 60.02 112.64 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . 0.981 HD23 HD21 ' A' ' 7' ' ' LEU . 35.9 mt -69.79 -49.65 50.81 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 123.653 0.595 . . . . 63.36 110.03 -179.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -59.69 -38.82 82.62 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 114.461 1.282 . . . . 120.57 114.461 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -64.3 -22.58 67.0 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.366 2.358 . . . . 122.5 117.366 174.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.33 -0.85 56.5 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 123.588 0.555 . . . . 105.5 111.191 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.56 3.64 59.63 Favored Glycine 0 C--N 1.339 0.743 0 CA-C-N 114.465 -1.243 . . . . 80.35 114.536 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.39 143.33 53.7 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.119 1.155 . . . . 66.72 114.119 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 115.71 30.71 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 104.881 -2.266 . . . . 94.66 104.881 170.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.37 120.54 34.75 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 109.464 -0.569 . . . . 56.92 109.464 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -98.41 -29.91 12.86 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 120.325 -0.55 . . . . 67.42 110.741 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -162.29 138.58 7.71 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 116.19 -0.459 . . . . 88.96 111.476 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.1 t -123.97 127.68 73.74 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 125.247 1.592 . . . . 70.55 108.729 172.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.1 116.25 24.64 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 114.71 -1.132 . . . . 115.09 110.215 172.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -79.74 102.94 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.888 -1.893 . . . . 96.28 105.888 165.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.4 mt -83.84 -26.24 29.66 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.309 -0.626 . . . . 59.27 109.309 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 -156.71 33.03 Favored Glycine 0 N--CA 1.434 -1.495 0 C-N-CA 120.344 -0.931 . . . . 47.64 112.542 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.97 125.85 27.96 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.754 -1.223 . . . . 68.31 111.572 -170.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.02 153.44 49.25 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 116.828 -0.169 . . . . 92.39 111.007 173.122 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -119.68 116.12 25.34 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.532 -0.914 . . . . 112.39 108.532 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.01 122.21 11.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.725 0.639 . . . . 63.2 112.725 168.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.92 -39.62 8.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.407 -0.96 . . . . 64.67 108.407 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -145.1 129.1 8.74 Favored Pre-proline 0 C--O 1.216 -0.676 0 N-CA-C 107.015 -1.476 . . . . 57.15 107.015 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -69.31 178.22 25.08 Favored 'Cis proline' 0 N--CA 1.505 2.196 0 O-C-N 122.773 0.881 . . . . 62.31 113.581 -5.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.25 123.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.263 1.787 0 N-CA-C 108.653 -0.869 . . . . 65.38 108.653 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.85 149.87 29.24 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 115.141 -0.936 . . . . 65.57 110.425 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -50.73 63.9 Favored 'General case' 0 CA--C 1.564 1.508 0 O-C-N 123.732 0.645 . . . . 101.95 112.503 168.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -116.26 86.36 17.38 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 122.516 0.326 . . . . 133.02 110.891 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.83 -8.96 18.17 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 N-CA-C 116.018 1.507 . . . . 78.16 116.018 -169.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -98.44 139.35 34.32 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 121.241 0.544 . . . . 124.34 109.865 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.97 167.62 34.86 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.748 -1.215 . . . . 55.46 111.515 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -101.86 106.67 17.67 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.406 -0.961 . . . . 54.94 108.406 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.98 131.98 34.42 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.386 1.625 . . . . 57.58 115.386 -172.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.6 mt -124.16 145.04 49.56 Favored 'General case' 0 C--O 1.247 0.973 0 C-N-CA 124.659 1.184 . . . . 57.01 109.096 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -131.63 135.78 47.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.325 -0.991 . . . . 62.91 108.325 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -130.67 129.39 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.943 -1.503 . . . . 58.38 106.943 -175.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -106.58 126.71 52.62 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 108.555 -0.905 . . . . 67.65 108.555 167.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.8 150.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 115.349 -0.841 . . . . 60.14 109.244 -168.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -111.31 120.67 43.0 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 115.508 -0.769 . . . . 94.08 111.41 170.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 78.8 mmm -84.63 156.61 61.74 Favored Pre-proline 0 N--CA 1.502 2.172 0 CA-C-O 118.536 -0.745 . . . . 85.11 112.737 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 N--CA 1.497 1.68 0 C-N-CA 116.066 -2.156 . . . . 92.67 116.231 -172.385 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 114.969 1.47 . . . . 125.09 114.969 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.92 -34.54 76.26 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 115.87 1.804 . . . . 126.66 115.87 173.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -65.45 -36.83 85.08 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.4 0.519 . . . . 178.47999999999999 112.4 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -34.1 56.15 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 N-CA-C 107.901 -1.148 . . . . 76.950000000000003 107.901 179.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -66.59 -40.75 89.04 Favored 'General case' 0 CA--C 1.554 1.11 0 CA-C-O 121.607 0.717 . . . . 76.170000000000002 112.096 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -59.94 -47.03 87.45 Favored 'General case' 0 C--O 1.24 0.597 0 C-N-CA 123.363 0.665 . . . . 78.560000000000002 112.527 171.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.981 HD21 HD23 ' A' ' 57' ' ' LEU . 65.3 tp -54.91 -44.04 73.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 122.006 0.908 . . . . 80.599999999999994 111.076 176.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.6 -41.69 88.07 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.457 -0.792 . . . . 58.229999999999997 110.091 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -70.85 -32.09 68.99 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.313 -0.625 . . . . 79.030000000000001 109.313 -173.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.54 -54.06 27.9 Favored 'General case' 0 C--O 1.252 1.189 0 O-C-N 124.564 1.165 . . . . 75.519999999999996 108.657 -178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -57.71 -39.22 76.75 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.288 1.218 . . . . 63.390000000000001 114.288 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -59.78 -25.09 64.63 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 119.057 -0.497 . . . . 83.900000000000006 111.134 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.6 mt -62.62 -34.23 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 123.325 0.39 . . . . 74.109999999999999 110.363 -175.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -62.04 134.0 56.05 Favored 'General case' 0 C--O 1.252 1.204 0 CA-C-O 120.891 0.377 . . . . 68.650000000000006 110.188 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -50.23 -41.4 49.95 Favored 'General case' 0 C--N 1.348 0.51 0 N-CA-C 114.361 1.245 . . . . 117.38 114.361 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -80.65 -11.77 59.59 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.345 1.239 . . . . 57.219999999999999 114.345 -176.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.453 ' O ' ' O ' ' A' ' 201' ' ' HOH . 87.6 t -93.77 106.33 17.91 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.579 0 N-CA-C 105.251 -2.129 . . . . 54.020000000000003 105.251 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -77.95 -50.75 11.56 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.485 0.92 . . . . 137.30000000000001 113.485 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.83 145.93 33.66 Favored 'General case' 0 C--O 1.282 2.77 0 N-CA-C 107.744 -1.206 . . . . 129.31 107.744 -173.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.8 t -129.4 142.05 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 CA-C-N 114.201 -1.363 . . . . 52.909999999999997 108.623 170.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 ttm -143.3 130.82 21.15 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.753 -0.658 . . . . 86.439999999999998 110.664 171.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.98 132.13 71.7 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 N-CA-C 106.715 -1.587 . . . . 51.859999999999999 106.715 -174.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 48.2 t -120.66 130.95 73.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 CA-C-N 113.784 -1.553 . . . . 66.870000000000005 110.14 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.14 135.19 33.81 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.078 -1.082 . . . . 61.789999999999999 108.078 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.91 160.67 14.13 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 108.101 -1.074 . . . . 79.0 108.101 179.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.6 p -71.03 -21.36 62.28 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.734 1.383 . . . . 103.59999999999999 114.734 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 m -56.98 124.91 67.93 Favored Pre-proline 0 N--CA 1.48 1.026 0 N-CA-C 107.472 -1.307 . . . . 88.230000000000004 107.472 166.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -63.95 135.99 50.54 Favored 'Trans proline' 0 CA--C 1.552 1.387 0 N-CA-C 115.296 1.229 . . . . 104.05 115.296 -174.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.37 -11.94 11.43 Favored Glycine 0 N--CA 1.483 1.769 0 N-CA-C 117.767 1.867 . . . . 75.109999999999999 117.767 -172.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -87.96 131.83 34.46 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.771 2.138 . . . . 80.090000000000003 116.771 -172.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -135.05 150.6 50.31 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 125.383 1.473 . . . . 73.120000000000005 109.905 177.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -118.04 133.08 56.25 Favored 'General case' 0 CA--C 1.449 -2.908 0 CA-C-N 113.852 -1.522 . . . . 88.209999999999994 112.853 169.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -120.4 114.5 44.04 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 O-C-N 126.091 2.119 . . . . 53.380000000000003 107.751 -170.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -98.44 126.35 43.94 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 108.742 -0.836 . . . . 65.620000000000005 108.742 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.4 mt -125.39 132.59 70.86 Favored 'Isoleucine or valine' 0 C--O 1.27 2.16 0 CA-C-O 121.912 0.863 . . . . 54.460000000000001 108.897 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -113.35 118.53 58.38 Favored 'Isoleucine or valine' 0 C--O 1.277 2.533 0 CA-C-N 115.1 -0.954 . . . . 51.119999999999997 109.779 173.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.4 mt -93.33 153.66 18.42 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-N 114.607 -1.179 . . . . 50.439999999999998 114.156 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -34.98 123.07 0.58 Allowed Pre-proline 0 CA--C 1.559 1.308 0 CA-C-N 115.065 -0.971 . . . . 77.140000000000001 109.391 157.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.55 -7.76 19.85 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.256 1.304 . . . . 75.629999999999995 114.893 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -112.88 34.24 4.53 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.75 1.389 . . . . 90.0 114.75 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.45 143.65 40.41 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.257 0.551 . . . . 64.709999999999994 111.524 174.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.11 165.97 24.38 Favored 'General case' 0 C--O 1.248 1.024 0 N-CA-C 108.711 -0.848 . . . . 96.329999999999998 108.711 159.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -64.27 -30.9 71.93 Favored 'General case' 0 CA--C 1.496 -1.127 0 N-CA-C 114.095 1.146 . . . . 65.959999999999994 114.095 -175.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -64.51 -44.41 91.01 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.473 -0.785 . . . . 93.329999999999998 109.272 176.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.83 -42.62 76.92 Favored 'General case' 0 N--CA 1.483 1.177 0 O-C-N 121.663 -0.648 . . . . 91.290000000000006 110.889 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.3 tp -55.72 -48.36 75.3 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 112.479 0.548 . . . . 55.409999999999997 112.479 173.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.55 92.51 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 123.482 0.489 . . . . 56.640000000000001 111.078 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.74 -43.86 97.72 Favored 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 119.731 -0.787 . . . . 54.609999999999999 111.367 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.45 -46.15 87.58 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 109.968 -0.382 . . . . 66.359999999999999 109.968 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -59.28 -43.5 92.52 Favored 'General case' 0 C--O 1.249 1.076 0 N-CA-C 113.425 0.898 . . . . 92.049999999999997 113.425 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.2 -39.54 93.08 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 116.597 2.073 . . . . 138.44 116.597 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.66 -43.72 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 119.163 -0.446 . . . . 64.239999999999995 109.913 174.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.1 mt -63.01 -47.84 90.82 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.719 -0.845 . . . . 56.359999999999999 108.719 -177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -56.75 -49.26 75.79 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.041 1.126 . . . . 68.629999999999995 114.041 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -57.19 -46.06 83.19 Favored 'General case' 0 CA--C 1.506 -0.712 0 O-C-N 123.637 0.586 . . . . 120.79000000000001 112.176 177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.94 -35.14 77.55 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.021 0.826 . . . . 60.020000000000003 112.64 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.981 HD23 HD21 ' A' ' 7' ' ' LEU . 35.9 mt -69.79 -49.65 50.81 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 123.653 0.595 . . . . 63.359999999999999 110.03 -179.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -59.69 -38.82 82.62 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 114.461 1.282 . . . . 120.56999999999999 114.461 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -64.3 -22.58 67.0 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 117.366 2.358 . . . . 122.5 117.366 174.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.33 -0.85 56.5 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 123.588 0.555 . . . . 105.5 111.191 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.56 3.64 59.63 Favored Glycine 0 C--N 1.339 0.743 0 CA-C-N 114.465 -1.243 . . . . 80.349999999999994 114.536 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.39 143.33 53.7 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.119 1.155 . . . . 66.719999999999999 114.119 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.52 115.71 30.71 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 104.881 -2.266 . . . . 94.659999999999997 104.881 170.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.7 t -83.37 120.54 34.75 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.937 0 N-CA-C 109.464 -0.569 . . . . 56.920000000000002 109.464 -174.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -98.41 -29.91 12.86 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 120.325 -0.55 . . . . 67.420000000000002 110.741 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -162.29 138.58 7.71 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 116.19 -0.459 . . . . 88.959999999999994 111.476 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.1 t -123.97 127.68 73.74 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 125.247 1.592 . . . . 70.549999999999997 108.729 172.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -121.1 116.25 24.64 Favored 'General case' 0 C--O 1.258 1.527 0 CA-C-N 114.71 -1.132 . . . . 115.09 110.215 172.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -79.74 102.94 9.3 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 105.888 -1.893 . . . . 96.280000000000001 105.888 165.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.4 mt -83.84 -26.24 29.66 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.309 -0.626 . . . . 59.270000000000003 109.309 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 -156.71 33.03 Favored Glycine 0 N--CA 1.434 -1.495 0 C-N-CA 120.344 -0.931 . . . . 47.640000000000001 112.542 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 tp -69.97 125.85 27.96 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 113.754 -1.223 . . . . 68.310000000000002 111.572 -170.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.02 153.44 49.25 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 116.828 -0.169 . . . . 92.390000000000001 111.007 173.122 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -119.68 116.12 25.34 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.532 -0.914 . . . . 112.39 108.532 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 tp -57.01 122.21 11.8 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 112.725 0.639 . . . . 63.200000000000003 112.725 168.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.92 -39.62 8.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.407 -0.96 . . . . 64.670000000000002 108.407 -177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -145.1 129.1 8.74 Favored Pre-proline 0 C--O 1.216 -0.676 0 N-CA-C 107.015 -1.476 . . . . 57.149999999999999 107.015 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -69.31 178.22 25.08 Favored 'Cis proline' 0 N--CA 1.505 2.196 0 O-C-N 122.773 0.881 . . . . 62.310000000000002 113.581 -5.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.25 123.64 43.47 Favored 'Isoleucine or valine' 0 C--O 1.263 1.787 0 N-CA-C 108.653 -0.869 . . . . 65.379999999999995 108.653 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.85 149.87 29.24 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 115.141 -0.936 . . . . 65.569999999999993 110.425 -178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -50.73 63.9 Favored 'General case' 0 CA--C 1.564 1.508 0 O-C-N 123.732 0.645 . . . . 101.95 112.503 168.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -116.26 86.36 17.38 Favored Pre-proline 0 N--CA 1.477 0.896 0 C-N-CA 122.516 0.326 . . . . 133.02000000000001 110.891 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.83 -8.96 18.17 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 N-CA-C 116.018 1.507 . . . . 78.159999999999997 116.018 -169.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -98.44 139.35 34.32 Favored 'General case' 0 C--O 1.257 1.492 0 CA-C-O 121.241 0.544 . . . . 124.34 109.865 -169.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.97 167.62 34.86 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.748 -1.215 . . . . 55.460000000000001 111.515 174.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -101.86 106.67 17.67 Favored 'General case' 0 C--O 1.251 1.143 0 N-CA-C 108.406 -0.961 . . . . 54.939999999999998 108.406 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -87.98 131.98 34.42 Favored 'General case' 0 CA--C 1.565 1.526 0 N-CA-C 115.386 1.625 . . . . 57.579999999999998 115.386 -172.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.6 mt -124.16 145.04 49.56 Favored 'General case' 0 C--O 1.247 0.973 0 C-N-CA 124.659 1.184 . . . . 57.009999999999998 109.096 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -131.63 135.78 47.21 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.325 -0.991 . . . . 62.909999999999997 108.325 178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -130.67 129.39 42.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.943 -1.503 . . . . 58.380000000000003 106.943 -175.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -106.58 126.71 52.62 Favored 'General case' 0 C--O 1.257 1.468 0 N-CA-C 108.555 -0.905 . . . . 67.650000000000006 108.555 167.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.8 150.05 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-N 115.349 -0.841 . . . . 60.140000000000001 109.244 -168.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -111.31 120.67 43.0 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 115.508 -0.769 . . . . 94.079999999999998 111.41 170.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 78.8 mmm -84.63 156.61 61.74 Favored Pre-proline 0 N--CA 1.502 2.172 0 CA-C-O 118.536 -0.745 . . . . 85.109999999999999 112.737 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 N--CA 1.497 1.68 0 C-N-CA 116.066 -2.156 . . . . 92.670000000000002 116.231 -172.385 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.453 ' O ' ' O ' ' A' ' 17' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_