data_6e51_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 6e51 _Structure_validation_residue.Date_analyzed 2019-10-11 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' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.237 0.412 0 N-CA-C 113.189 0.811 . . . . 53.59 113.189 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -90.69 -6.81 54.02 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.223 -0.899 . . . . 50.65 110.929 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -80.92 105.44 12.15 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.352 0.596 . . . . 47.77 110.192 -174.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -108.94 19.71 19.27 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 113.323 0.86 . . . . 49.5 113.323 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -58.25 143.91 42.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 111.735 0.272 . . . . 44.94 111.735 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.76 -171.05 23.45 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 116.008 1.163 . . . . 36.82 116.008 164.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -105.11 124.06 48.88 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.848 -0.797 . . . . 41.13 108.848 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.94 127.63 50.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 41.67 110.88 -174.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -110.7 124.07 51.23 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.591 -0.892 . . . . 65.17 108.591 -173.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.4 ttm -61.77 132.28 52.62 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 111.675 0.25 . . . . 40.03 111.675 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.94 -23.28 8.64 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.304 -0.558 . . . . 58.61 110.266 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -147.2 145.11 29.37 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.454 -0.202 . . . . 50.01 110.454 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -151.13 96.16 2.27 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 123.497 0.719 . . . . 40.62 110.901 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -105.05 132.5 51.2 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.785 1.031 . . . . 54.93 113.785 -171.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.64 32.04 20.3 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.912 0.708 . . . . 39.43 112.912 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.72 -32.52 65.6 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.393 -0.595 . . . . 39.35 109.393 166.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.11 -50.48 70.32 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.569 0.581 . . . . 54.41 112.569 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.74 -38.32 85.44 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 121.555 0.53 . . . . 34.83 113.845 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.08 -45.42 90.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.618 . . . . 32.65 109.396 173.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.82 -37.7 82.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 119.275 -0.97 . . . . 37.92 112.833 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -66.72 -36.98 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.756 -0.378 . . . . 65.45 110.648 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.32 67.52 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.785 0.326 . . . . 35.95 110.955 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -89.82 1.19 56.46 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.685 0.624 . . . . 37.23 112.685 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 64.2 31.34 13.23 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.059 1.344 . . . . 46.95 111.447 176.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -74.46 132.56 33.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.385 -0.968 . . . . 42.37 108.385 174.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -67.91 157.88 33.96 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.528 -0.469 . . . . 65.05 110.926 -165.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -54.26 -53.42 53.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 72.68 112.965 -171.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.11 -34.81 72.45 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.543 -0.463 . . . . 51.57 112.198 -171.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 p -82.95 -25.28 32.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.276 -0.97 . . . . 56.61 111.103 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 mtm-85 -65.57 -36.88 85.06 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.492 -0.883 . . . . 46.73 109.588 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.07 -38.46 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 66.49 110.698 -176.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mp -78.28 -47.66 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 50.84 111.473 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.47 67.01 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.406 -0.816 . . . . 42.71 113.125 -173.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.1 m -74.87 -4.2 5.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 118.987 -1.085 . . . . 41.75 110.857 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -93.08 -8.36 42.97 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.932 0.716 . . . . 82.19 112.932 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.0 mt -84.92 154.35 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.314 -0.954 . . . . 51.11 110.869 -169.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.1 m -110.8 142.42 42.82 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 105.082 -2.192 . . . . 64.68 105.082 168.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -111.49 145.58 38.77 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.309 -0.956 . . . . 72.81 111.47 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.5 m -120.61 131.51 54.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.972 -1.492 . . . . 50.64 106.972 170.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.5 tp -113.76 135.61 53.76 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.936 -1.135 . . . . 69.23 107.936 -178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.45 106.86 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.595 -0.891 . . . . 49.8 108.595 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.99 126.1 56.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.72 0.638 . . . . 45.51 112.143 -171.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -113.3 103.57 11.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 69.57 109.857 173.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -113.88 124.13 51.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.215 0.531 . . . . 48.5 111.635 -173.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.5 97.4 4.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.866 -0.734 . . . . 75.87 110.826 174.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.82 -120.81 6.45 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 109.411 -1.476 . . . . 52.68 109.411 -175.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -102.8 13.14 35.12 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.821 0.343 . . . . 56.24 111.606 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -98.6 116.89 31.82 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.109 -0.496 . . . . 59.64 112.184 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -106.41 138.03 43.32 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.001 0.741 . . . . 47.26 113.001 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -132.64 130.49 40.24 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.087 -1.82 . . . . 59.65 106.087 162.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -145.09 142.9 30.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.164 1.172 . . . . 70.7 114.164 173.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -108.91 136.7 48.03 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.474 -1.239 . . . . 83.22 109.708 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -113.65 139.2 49.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.368 -0.378 . . . . 66.4 110.277 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -131.9 122.29 25.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.037 0.446 . . . . 59.27 111.251 171.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 m -93.08 129.09 39.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 63.84 110.075 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.99 151.7 46.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.04 0.924 . . . . 50.55 112.037 -177.605 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -132.58 123.48 26.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.011 -0.995 . . . . 78.08 108.414 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -81.95 112.12 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.794 -0.447 . . . . 90.69 109.794 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -71.48 -175.14 1.22 Allowed 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.735 -0.839 . . . . 71.46 108.735 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . 0.592 ' CE2' ' O ' ' A' ' 75' ' ' LYS . 2.5 p90 -77.44 146.86 36.27 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.906 -0.718 . . . . 94.44 111.894 178.836 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.45 140.28 54.05 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.846 -1.168 . . . . 85.37 107.846 165.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 p -125.67 122.67 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.15 -1.426 . . . . 70.42 107.15 166.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -124.36 142.66 51.11 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 119.615 -0.834 . . . . 76.18 110.245 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -157.15 168.63 26.86 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.48 -1.237 . . . . 44.75 110.526 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 p -120.72 135.49 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.463 -1.295 . . . . 60.31 108.922 170.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -54.03 129.54 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.641 . . . . 43.65 110.299 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.73 -4.25 72.08 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 121.316 -0.468 . . . . 47.77 114.243 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -118.01 106.38 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.315 0.578 . . . . 42.62 110.053 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.04 140.61 37.28 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.483 -0.781 . . . . 64.8 111.34 177.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -142.53 160.16 40.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.547 0.689 . . . . 46.57 111.571 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -82.66 138.95 33.98 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 114.638 -1.165 . . . . 46.99 109.98 174.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -137.76 132.3 32.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.564 -2.013 . . . . 66.15 105.564 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -111.48 119.07 37.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.463 -1.68 . . . . 50.17 106.463 171.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p -87.87 57.68 4.46 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.139 -0.937 . . . . 54.33 110.335 -169.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . 0.592 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 6.8 ttpt -55.61 162.93 1.47 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.001 -1.111 . . . . 82.28 108.001 174.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 p 52.06 19.52 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.649 -1.282 . . . . 78.8 113.595 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 tp -138.73 -98.55 0.17 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.288 -1.745 . . . . 54.98 106.288 162.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -108.86 -7.72 15.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 119.591 -0.844 . . . . 51.21 113.028 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 60.29 43.13 14.04 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 113.985 1.106 . . . . 75.64 113.985 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -106.22 160.7 15.14 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.404 1.097 . . . . 46.38 111.231 171.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -91.2 121.63 33.13 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.147 -1.388 . . . . 50.23 108.296 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.71 155.85 35.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.641 -0.424 . . . . 41.16 111.351 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -101.83 107.2 18.31 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.318 -0.993 . . . . 50.06 108.318 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.67 129.36 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.433 -0.803 . . . . 41.43 112.336 -171.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.2 tp -120.85 128.08 52.5 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.112 0.482 . . . . 40.86 109.799 174.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -116.76 123.02 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.896 -0.593 . . . . 39.18 110.678 -176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -132.33 159.0 40.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 37.4 111.247 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -86.88 129.06 35.03 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.349 0.87 . . . . 38.71 113.349 167.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.59 102.14 9.5 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 106.947 -1.501 . . . . 52.03 106.947 162.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.87 -118.14 11.28 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 109.109 -1.596 . . . . 35.53 109.109 -168.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.23 -9.48 58.48 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.638 1.975 . . . . 73.12 114.436 176.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -98.28 120.25 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.235 -0.893 . . . . 34.19 110.479 -167.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -84.6 121.32 27.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 107.765 -1.198 . . . . 38.98 107.765 178.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 66.9 t -119.44 130.71 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.981 0.896 . . . . 33.97 111.522 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 43.5 t -124.65 128.94 49.61 Favored 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 119.5 -0.88 . . . . 35.01 109.694 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.29 127.35 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.023 -0.732 . . . . 36.03 109.023 171.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -108.8 82.2 1.57 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 116.06 -0.518 . . . . 42.39 111.876 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -63.93 127.23 30.47 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.293 -0.867 . . . . 68.5 111.839 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.93 -161.61 32.01 Favored Glycine 0 C--O 1.225 -0.463 0 N-CA-C 111.461 -0.656 . . . . 37.52 111.461 -175.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.13 -41.54 83.87 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.969 0.729 . . . . 65.01 112.969 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.59 127.21 32.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.972 -0.455 . . . . 45.88 110.769 -176.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -76.98 151.09 35.8 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.779 0.323 . . . . 72.21 111.005 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.6 t30 53.1 43.3 31.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.492 0.663 . . . . 58.97 112.596 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -97.95 123.82 42.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.126 -0.488 . . . . 41.24 110.122 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.67 -161.81 28.56 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.567 -1.302 . . . . 36.42 114.003 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -160.41 170.63 20.61 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.575 -0.45 . . . . 35.36 111.099 172.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -138.78 138.03 37.23 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 107.053 -1.462 . . . . 53.53 107.053 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -135.6 133.45 38.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.372 0.42 . . . . 55.93 110.381 -174.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 18.4 p90 -162.01 162.78 29.02 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.126 0.787 . . . . 37.56 113.126 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 mm -103.49 133.66 46.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 114.813 -1.085 . . . . 49.97 112.69 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -137.47 100.38 4.21 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.485 -0.561 . . . . 69.06 109.485 164.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.67 -131.25 10.29 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.314 -0.714 . . . . 56.12 111.314 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -100.73 19.62 16.75 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.77 0.795 . . . . 75.21 109.443 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.37 135.92 51.24 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 114.745 -1.116 . . . . 52.07 111.53 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.7 tt -105.55 125.74 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.429 -1.26 . . . . 43.59 109.325 169.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.1 138.11 42.87 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 123.97 0.794 . . . . 47.48 110.042 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.7 tp -140.11 123.23 16.76 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.04 -0.982 . . . . 39.67 109.449 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -117.03 128.68 55.4 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.876 -1.157 . . . . 53.39 107.876 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mt -114.48 135.47 54.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.297 -1.371 . . . . 33.15 107.297 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.6 p -128.68 137.73 51.77 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 119.295 -0.962 . . . . 38.89 109.928 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 t -145.16 125.04 13.44 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.958 -1.497 . . . . 39.0 106.958 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 56.34 -123.96 33.14 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.05 -0.82 . . . . 48.16 111.05 -176.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -93.73 3.67 55.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.099 0.476 . . . . 65.08 111.706 -178.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -103.52 132.88 49.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.462 0.541 . . . . 43.63 112.462 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.5 t -120.81 129.81 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.448 -0.342 . . . . 36.54 111.052 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -114.08 126.88 55.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 36.85 110.189 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -113.72 125.12 53.77 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.969 0.414 . . . . 69.47 111.918 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -122.06 147.24 46.35 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.703 -0.68 . . . . 38.55 109.899 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.94 134.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.124 -1.065 . . . . 37.83 108.124 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.46 148.29 44.0 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 108.728 -0.842 . . . . 41.04 108.728 177.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -102.74 144.26 31.32 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.382 -1.34 . . . . 63.05 107.382 173.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -75.03 128.06 34.67 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.878 -0.729 . . . . 48.93 109.346 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 N--CA 1.444 -0.725 0 CA-C-N 116.08 -0.509 . . . . 66.4 111.086 175.183 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.237 0.412 0 N-CA-C 113.189 0.811 . . . . 53.59 113.189 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -90.69 -6.81 54.02 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.223 -0.899 . . . . 50.65 110.929 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -80.92 105.44 12.15 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.352 0.596 . . . . 47.77 110.192 -174.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -108.94 19.71 19.27 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 113.323 0.86 . . . . 49.5 113.323 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -58.25 143.91 42.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 111.735 0.272 . . . . 44.94 111.735 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.76 -171.05 23.45 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 116.008 1.163 . . . . 36.82 116.008 164.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -105.11 124.06 48.88 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.848 -0.797 . . . . 41.13 108.848 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.94 127.63 50.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 41.67 110.88 -174.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -110.7 124.07 51.23 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.591 -0.892 . . . . 65.17 108.591 -173.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.4 ttm -61.77 132.28 52.62 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 111.675 0.25 . . . . 40.03 111.675 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.94 -23.28 8.64 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.304 -0.558 . . . . 58.61 110.266 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -147.2 145.11 29.37 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.454 -0.202 . . . . 50.01 110.454 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -151.13 96.16 2.27 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 123.497 0.719 . . . . 40.62 110.901 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -105.05 132.5 51.2 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.785 1.031 . . . . 54.93 113.785 -171.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.64 32.04 20.3 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.912 0.708 . . . . 39.43 112.912 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.72 -32.52 65.6 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.393 -0.595 . . . . 39.35 109.393 166.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.11 -50.48 70.32 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.569 0.581 . . . . 54.41 112.569 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.74 -38.32 85.44 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 121.555 0.53 . . . . 34.83 113.845 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.08 -45.42 90.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.618 . . . . 32.65 109.396 173.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.82 -37.7 82.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 119.275 -0.97 . . . . 37.92 112.833 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -66.72 -36.98 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.756 -0.378 . . . . 65.45 110.648 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.32 67.52 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.785 0.326 . . . . 35.95 110.955 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -89.82 1.19 56.46 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.685 0.624 . . . . 37.23 112.685 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 64.2 31.34 13.23 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.059 1.344 . . . . 46.95 111.447 176.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -74.46 132.56 33.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.385 -0.968 . . . . 42.37 108.385 174.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -67.91 157.88 33.96 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.528 -0.469 . . . . 65.05 110.926 -165.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -54.26 -53.42 53.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 72.68 112.965 -171.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -59.11 -34.81 72.45 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.543 -0.463 . . . . 51.57 112.198 -171.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 p -82.95 -25.28 32.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.276 -0.97 . . . . 56.61 111.103 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 mtm-85 -65.57 -36.88 85.06 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.492 -0.883 . . . . 46.73 109.588 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.07 -38.46 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 66.49 110.698 -176.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.6 mp -78.28 -47.66 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 50.84 111.473 177.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.47 67.01 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.406 -0.816 . . . . 42.71 113.125 -173.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.1 m -74.87 -4.2 5.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 118.987 -1.085 . . . . 41.75 110.857 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -93.08 -8.36 42.97 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.932 0.716 . . . . 82.19 112.932 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 55' ' ' SER . 78.0 mt -84.92 154.35 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.314 -0.954 . . . . 51.11 110.869 -169.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.1 m -110.8 142.42 42.82 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 105.082 -2.192 . . . . 64.68 105.082 168.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -111.49 145.58 38.77 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.309 -0.956 . . . . 72.81 111.47 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.5 m -120.61 131.51 54.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.972 -1.492 . . . . 50.64 106.972 170.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 51' ' ' TRP . 29.5 tp -113.76 135.61 53.76 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.936 -1.135 . . . . 69.23 107.936 -178.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.45 106.86 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.595 -0.891 . . . . 49.8 108.595 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.99 126.1 56.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.72 0.638 . . . . 45.51 112.143 -171.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -113.3 103.57 11.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 69.57 109.857 173.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -113.88 124.13 51.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.215 0.531 . . . . 48.5 111.635 -173.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.5 97.4 4.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.866 -0.734 . . . . 75.87 110.826 174.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.82 -120.81 6.45 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 109.411 -1.476 . . . . 52.68 109.411 -175.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -102.8 13.14 35.12 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.821 0.343 . . . . 56.24 111.606 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -98.6 116.89 31.82 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.109 -0.496 . . . . 59.64 112.184 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -106.41 138.03 43.32 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.001 0.741 . . . . 47.26 113.001 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -132.64 130.49 40.24 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.087 -1.82 . . . . 59.65 106.087 162.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TRP . . . . . 0.489 ' CD1' HD11 ' A' ' 40' ' ' LEU . 1.2 p90 -145.09 142.9 30.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.164 1.172 . . . . 70.7 114.164 173.577 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -108.91 136.7 48.03 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.474 -1.239 . . . . 83.22 109.708 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -113.65 139.2 49.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.368 -0.378 . . . . 66.4 110.277 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -131.9 122.29 25.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.037 0.446 . . . . 59.27 111.251 171.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . 0.405 ' HB3' HD13 ' A' ' 36' ' ' LEU . 21.4 m -93.08 129.09 39.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 63.84 110.075 176.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.99 151.7 46.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.04 0.924 . . . . 50.55 112.037 -177.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -132.58 123.48 26.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.011 -0.995 . . . . 78.08 108.414 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -81.95 112.12 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.794 -0.447 . . . . 90.69 109.794 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -71.48 -175.14 1.22 Allowed 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.735 -0.839 . . . . 71.46 108.735 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . 0.815 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 2.5 p90 -77.44 146.86 36.27 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.906 -0.718 . . . . 94.44 111.894 178.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.45 140.28 54.05 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.846 -1.168 . . . . 85.37 107.846 165.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 p -125.67 122.67 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.15 -1.426 . . . . 70.42 107.15 166.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -124.36 142.66 51.11 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 119.615 -0.834 . . . . 76.18 110.245 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -157.15 168.63 26.86 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.48 -1.237 . . . . 44.75 110.526 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 p -120.72 135.49 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.463 -1.295 . . . . 60.31 108.922 170.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -54.03 129.54 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.641 . . . . 43.65 110.299 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.73 -4.25 72.08 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 121.316 -0.468 . . . . 47.77 114.243 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -118.01 106.38 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.315 0.578 . . . . 42.62 110.053 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.04 140.61 37.28 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.483 -0.781 . . . . 64.8 111.34 177.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -142.53 160.16 40.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.547 0.689 . . . . 46.57 111.571 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -82.66 138.95 33.98 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 114.638 -1.165 . . . . 46.99 109.98 174.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -137.76 132.3 32.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.564 -2.013 . . . . 66.15 105.564 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 75.7 m-85 -111.48 119.07 37.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.463 -1.68 . . . . 50.17 106.463 171.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p -87.87 57.68 4.46 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.139 -0.937 . . . . 54.33 110.335 -169.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . 0.815 ' O ' ' HE2' ' A' ' 60' ' ' TYR . 6.8 ttpt -55.61 162.93 1.47 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.001 -1.111 . . . . 82.28 108.001 174.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 p 52.06 19.52 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.649 -1.282 . . . . 78.8 113.595 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 tp -138.73 -98.55 0.17 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.288 -1.745 . . . . 54.98 106.288 162.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -108.86 -7.72 15.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 119.591 -0.844 . . . . 51.21 113.028 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 60.29 43.13 14.04 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 113.985 1.106 . . . . 75.64 113.985 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -106.22 160.7 15.14 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.404 1.097 . . . . 46.38 111.231 171.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 12.4 t-80 -91.2 121.63 33.13 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.147 -1.388 . . . . 50.23 108.296 176.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.71 155.85 35.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.641 -0.424 . . . . 41.16 111.351 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -101.83 107.2 18.31 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.318 -0.993 . . . . 50.06 108.318 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.67 129.36 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.433 -0.803 . . . . 41.43 112.336 -171.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.2 tp -120.85 128.08 52.5 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.112 0.482 . . . . 40.86 109.799 174.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -116.76 123.02 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.896 -0.593 . . . . 39.18 110.678 -176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -132.33 159.0 40.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 37.4 111.247 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -86.88 129.06 35.03 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.349 0.87 . . . . 38.71 113.349 167.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.59 102.14 9.5 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 106.947 -1.501 . . . . 52.03 106.947 162.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.87 -118.14 11.28 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 109.109 -1.596 . . . . 35.53 109.109 -168.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.23 -9.48 58.48 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.638 1.975 . . . . 73.12 114.436 176.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -98.28 120.25 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.235 -0.893 . . . . 34.19 110.479 -167.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -84.6 121.32 27.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 107.765 -1.198 . . . . 38.98 107.765 178.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 66.9 t -119.44 130.71 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.981 0.896 . . . . 33.97 111.522 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 43.5 t -124.65 128.94 49.61 Favored 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 119.5 -0.88 . . . . 35.01 109.694 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.29 127.35 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.023 -0.732 . . . . 36.21 109.023 171.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -108.8 82.2 1.57 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 116.06 -0.518 . . . . 42.39 111.876 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 1.2 mmtt -63.93 127.23 30.47 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.293 -0.867 . . . . 68.5 111.839 -178.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.93 -161.61 32.01 Favored Glycine 0 C--O 1.225 -0.463 0 N-CA-C 111.461 -0.656 . . . . 37.52 111.461 -175.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.13 -41.54 83.87 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.969 0.729 . . . . 65.01 112.969 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.59 127.21 32.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.972 -0.455 . . . . 45.88 110.769 -176.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -76.98 151.09 35.8 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.779 0.323 . . . . 72.21 111.005 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.6 t30 53.1 43.3 31.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.492 0.663 . . . . 58.97 112.596 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -97.95 123.82 42.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.126 -0.488 . . . . 41.24 110.122 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.67 -161.81 28.56 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.567 -1.302 . . . . 36.42 114.003 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -160.41 170.63 20.61 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.575 -0.45 . . . . 35.36 111.099 172.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -138.78 138.03 37.23 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 107.053 -1.462 . . . . 53.53 107.053 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -135.6 133.45 38.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.372 0.42 . . . . 55.93 110.381 -174.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 18.4 p90 -162.01 162.78 29.02 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.126 0.787 . . . . 37.56 113.126 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 mm -103.49 133.66 46.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 114.813 -1.085 . . . . 49.97 112.69 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -137.47 100.38 4.21 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.485 -0.561 . . . . 69.06 109.485 164.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.67 -131.25 10.29 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.314 -0.714 . . . . 56.12 111.314 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -100.73 19.62 16.75 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.77 0.795 . . . . 75.21 109.443 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.37 135.92 51.24 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 114.745 -1.116 . . . . 52.07 111.53 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.7 tt -105.55 125.74 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.429 -1.26 . . . . 43.59 109.325 169.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.1 138.11 42.87 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 123.97 0.794 . . . . 47.48 110.042 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.7 tp -140.11 123.23 16.76 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.04 -0.982 . . . . 39.67 109.449 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -117.03 128.68 55.4 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.876 -1.157 . . . . 53.39 107.876 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mt -114.48 135.47 54.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.297 -1.371 . . . . 33.15 107.297 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.6 p -128.68 137.73 51.77 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 119.295 -0.962 . . . . 38.89 109.928 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 t -145.16 125.04 13.44 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.958 -1.497 . . . . 39.0 106.958 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 56.34 -123.96 33.14 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.05 -0.82 . . . . 48.16 111.05 -176.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -93.73 3.67 55.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.099 0.476 . . . . 65.08 111.706 -178.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -103.52 132.88 49.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.462 0.541 . . . . 43.63 112.462 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.5 t -120.81 129.81 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.448 -0.342 . . . . 36.54 111.052 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -114.08 126.88 55.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 36.85 110.189 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -113.72 125.12 53.77 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.969 0.414 . . . . 69.47 111.918 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -122.06 147.24 46.35 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.703 -0.68 . . . . 38.55 109.899 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.94 134.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.124 -1.065 . . . . 37.83 108.124 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.46 148.29 44.0 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 108.728 -0.842 . . . . 41.04 108.728 177.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -102.74 144.26 31.32 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.382 -1.34 . . . . 63.05 107.382 173.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -75.03 128.06 34.67 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.878 -0.729 . . . . 48.93 109.346 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 N--CA 1.444 -0.725 0 CA-C-N 116.08 -0.509 . . . . 66.4 111.086 175.183 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--O 1.237 0.412 0 N-CA-C 113.189 0.811 . . . . 53.59 113.189 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -90.69 -6.81 54.02 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.223 -0.899 . . . . 50.65 110.929 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -80.92 105.44 12.15 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-O 121.352 0.596 . . . . 47.77 110.192 -174.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -108.94 19.71 19.27 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 113.323 0.86 . . . . 49.5 113.323 -179.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -58.25 143.91 42.85 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 111.735 0.272 . . . . 44.94 111.735 174.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.76 -171.05 23.45 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 116.008 1.163 . . . . 36.82 116.008 164.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.4 m -105.11 124.06 48.88 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.848 -0.797 . . . . 41.13 108.848 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -121.94 127.63 50.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 41.67 110.88 -174.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -110.7 124.07 51.23 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.591 -0.892 . . . . 65.17 108.591 -173.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 41.4 ttm -61.77 132.28 52.62 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 111.675 0.25 . . . . 40.03 111.675 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.94 -23.28 8.64 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.304 -0.558 . . . . 58.61 110.266 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -147.2 145.11 29.37 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.454 -0.202 . . . . 50.01 110.454 -176.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -151.13 96.16 2.27 Favored 'General case' 0 C--O 1.22 -0.493 0 C-N-CA 123.497 0.719 . . . . 40.62 110.901 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -105.05 132.5 51.2 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 113.785 1.031 . . . . 54.93 113.785 -171.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 64.5 t30 56.64 32.04 20.3 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.912 0.708 . . . . 39.43 112.912 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -56.72 -32.52 65.6 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.393 -0.595 . . . . 39.35 109.393 166.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -63.11 -50.48 70.32 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 112.569 0.581 . . . . 54.41 112.569 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.74 -38.32 85.44 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-O 121.555 0.53 . . . . 34.83 113.845 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.08 -45.42 90.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.618 . . . . 32.65 109.396 173.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.4 mtm -67.82 -37.7 82.29 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 119.275 -0.97 . . . . 37.92 112.833 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -66.72 -36.98 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.756 -0.378 . . . . 65.45 110.648 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.32 67.52 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 120.785 0.326 . . . . 35.95 110.955 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -89.82 1.19 56.46 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.685 0.624 . . . . 37.23 112.685 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 64.2 31.34 13.23 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 125.059 1.344 . . . . 46.95 111.447 176.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.1 mt -74.46 132.56 33.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.385 -0.968 . . . . 42.37 108.385 174.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -67.91 157.88 33.96 Favored 'General case' 0 CA--C 1.519 -0.218 0 C-N-CA 120.528 -0.469 . . . . 65.05 110.926 -165.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -54.26 -53.42 53.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.446 -0.797 . . . . 72.68 112.965 -171.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' O ' HD12 ' A' ' 32' ' ' ILE . . . -59.11 -34.81 72.45 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.543 -0.463 . . . . 51.57 112.198 -171.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.1 p -82.95 -25.28 32.5 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.276 -0.97 . . . . 56.61 111.103 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.2 mtm-85 -65.57 -36.88 85.06 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 119.492 -0.883 . . . . 46.73 109.588 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -60.07 -38.46 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.246 -0.888 . . . . 66.49 110.698 -176.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 28' ' ' ALA . 1.6 mp -78.28 -47.66 24.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 50.84 111.473 177.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.51 -34.47 67.01 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.406 -0.816 . . . . 42.71 113.125 -173.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.1 m -74.87 -4.2 5.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 118.987 -1.085 . . . . 41.75 110.857 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -93.08 -8.36 42.97 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.932 0.716 . . . . 82.19 112.932 177.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD13 ' HB3' ' A' ' 55' ' ' SER . 78.0 mt -84.92 154.35 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.314 -0.954 . . . . 51.11 110.869 -169.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.1 m -110.8 142.42 42.82 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 105.082 -2.192 . . . . 64.68 105.082 168.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -111.49 145.58 38.77 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.309 -0.956 . . . . 72.81 111.47 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 55.5 m -120.61 131.51 54.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 106.972 -1.492 . . . . 50.64 106.972 170.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.489 HD11 ' CD1' ' A' ' 51' ' ' TRP . 29.5 tp -113.76 135.61 53.76 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.936 -1.135 . . . . 69.23 107.936 -178.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.7 t -121.45 106.86 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.595 -0.891 . . . . 49.8 108.595 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.6 mt -101.99 126.1 56.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.72 0.638 . . . . 45.51 112.143 -171.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -113.3 103.57 11.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 69.57 109.857 173.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -113.88 124.13 51.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.215 0.531 . . . . 48.5 111.635 -173.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -130.5 97.4 4.38 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.866 -0.734 . . . . 75.87 110.826 174.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.82 -120.81 6.45 Favored Glycine 0 C--N 1.331 0.297 0 N-CA-C 109.411 -1.476 . . . . 52.68 109.411 -175.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -102.8 13.14 35.12 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.821 0.343 . . . . 56.24 111.606 177.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -98.6 116.89 31.82 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.109 -0.496 . . . . 59.64 112.184 175.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -106.41 138.03 43.32 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 113.001 0.741 . . . . 47.26 113.001 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -132.64 130.49 40.24 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.087 -1.82 . . . . 59.65 106.087 162.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.489 ' CD1' HD11 ' A' ' 40' ' ' LEU . 1.2 p90 -145.09 142.9 30.09 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 114.164 1.172 . . . . 70.7 114.164 173.577 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -108.91 136.7 48.03 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.474 -1.239 . . . . 83.22 109.708 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 m -113.65 139.2 49.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 116.368 -0.378 . . . . 66.4 110.277 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.3 p -131.9 122.29 25.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.037 0.446 . . . . 59.27 111.251 171.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . 0.405 ' HB3' HD13 ' A' ' 36' ' ' LEU . 21.4 m -93.08 129.09 39.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 63.84 110.075 176.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.99 151.7 46.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 122.04 0.924 . . . . 50.55 112.037 -177.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -132.58 123.48 26.56 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.011 -0.995 . . . . 78.08 108.414 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 tpp85 -81.95 112.12 18.75 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.794 -0.447 . . . . 90.69 109.794 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -71.48 -175.14 1.22 Allowed 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.735 -0.839 . . . . 71.46 108.735 176.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.815 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 2.5 p90 -77.44 146.86 36.27 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.906 -0.718 . . . . 94.44 111.894 178.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -69.45 140.28 54.05 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.846 -1.168 . . . . 85.37 107.846 165.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 p -125.67 122.67 62.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.15 -1.426 . . . . 70.42 107.15 166.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -124.36 142.66 51.11 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 119.615 -0.834 . . . . 76.18 110.245 169.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -157.15 168.63 26.86 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 114.48 -1.237 . . . . 44.75 110.526 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.0 p -120.72 135.49 55.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 118.463 -1.295 . . . . 60.31 108.922 170.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.5 t -54.03 129.54 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.789 -0.641 . . . . 43.65 110.299 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.73 -4.25 72.08 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 121.316 -0.468 . . . . 47.77 114.243 176.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -118.01 106.38 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.315 0.578 . . . . 42.62 110.053 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.04 140.61 37.28 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.483 -0.781 . . . . 64.8 111.34 177.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -142.53 160.16 40.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.547 0.689 . . . . 46.57 111.571 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -82.66 138.95 33.98 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 114.638 -1.165 . . . . 46.99 109.98 174.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -137.76 132.3 32.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 105.564 -2.013 . . . . 66.15 105.564 -176.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 75.7 m-85 -111.48 119.07 37.55 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.463 -1.68 . . . . 50.17 106.463 171.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.8 p -87.87 57.68 4.46 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.139 -0.937 . . . . 54.33 110.335 -169.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.815 ' O ' ' HE2' ' A' ' 60' ' ' TYR . 6.8 ttpt -55.61 162.93 1.47 Allowed 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.001 -1.111 . . . . 82.28 108.001 174.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 p 52.06 19.52 1.05 Allowed 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.649 -1.282 . . . . 78.8 113.595 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 tp -138.73 -98.55 0.17 Allowed 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.288 -1.745 . . . . 54.98 106.288 162.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -108.86 -7.72 15.43 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 119.591 -0.844 . . . . 51.21 113.028 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 60.29 43.13 14.04 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 113.985 1.106 . . . . 75.64 113.985 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -106.22 160.7 15.14 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 122.404 1.097 . . . . 46.38 111.231 171.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.535 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 12.4 t-80 -91.2 121.63 33.13 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-N 114.147 -1.388 . . . . 50.23 108.296 176.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.71 155.85 35.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 120.641 -0.424 . . . . 41.16 111.351 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -101.83 107.2 18.31 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.318 -0.993 . . . . 50.06 108.318 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.67 129.36 45.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.433 -0.803 . . . . 41.43 112.336 -171.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.2 tp -120.85 128.08 52.5 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.112 0.482 . . . . 40.86 109.799 174.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.4 t -116.76 123.02 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.896 -0.593 . . . . 39.18 110.678 -176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.6 p -132.33 159.0 40.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.851 -0.613 . . . . 37.4 111.247 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -86.88 129.06 35.03 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.349 0.87 . . . . 38.71 113.349 167.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -115.59 102.14 9.5 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 106.947 -1.501 . . . . 52.03 106.947 162.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.87 -118.14 11.28 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 109.109 -1.596 . . . . 35.53 109.109 -168.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.23 -9.48 58.48 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 126.638 1.975 . . . . 73.12 114.436 176.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -98.28 120.25 47.36 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.603 0 CA-C-N 115.235 -0.893 . . . . 34.19 110.479 -167.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -84.6 121.32 27.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 107.765 -1.198 . . . . 38.98 107.765 178.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 66.9 t -119.44 130.71 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.981 0.896 . . . . 33.97 111.522 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 43.5 t -124.65 128.94 49.61 Favored 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 119.5 -0.88 . . . . 35.01 109.694 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -107.29 127.35 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.023 -0.732 . . . . 36.21 109.023 171.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -108.8 82.2 1.57 Allowed 'General case' 0 C--O 1.239 0.544 0 CA-C-N 116.06 -0.518 . . . . 42.39 111.876 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 1.2 mmtt -63.93 127.23 30.47 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 115.293 -0.867 . . . . 68.5 111.839 -178.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.93 -161.61 32.01 Favored Glycine 0 C--O 1.225 -0.463 0 N-CA-C 111.461 -0.656 . . . . 37.52 111.461 -175.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.13 -41.54 83.87 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.969 0.729 . . . . 65.01 112.969 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -81.59 127.21 32.63 Favored 'General case' 0 C--O 1.243 0.729 0 O-C-N 121.972 -0.455 . . . . 45.88 110.769 -176.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -76.98 151.09 35.8 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.779 0.323 . . . . 72.21 111.005 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.6 t30 53.1 43.3 31.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.492 0.663 . . . . 58.97 112.596 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -97.95 123.82 42.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.126 -0.488 . . . . 41.24 110.122 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.67 -161.81 28.56 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 119.567 -1.302 . . . . 36.42 114.003 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 37.1 p-90 -160.41 170.63 20.61 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 120.575 -0.45 . . . . 35.36 111.099 172.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -138.78 138.03 37.23 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 107.053 -1.462 . . . . 53.53 107.053 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -135.6 133.45 38.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 123.372 0.42 . . . . 55.93 110.381 -174.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 18.4 p90 -162.01 162.78 29.02 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.126 0.787 . . . . 37.56 113.126 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.4 mm -103.49 133.66 46.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 CA-C-N 114.813 -1.085 . . . . 49.97 112.69 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -137.47 100.38 4.21 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.485 -0.561 . . . . 69.06 109.485 164.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.67 -131.25 10.29 Favored Glycine 0 C--N 1.335 0.496 0 N-CA-C 111.314 -0.714 . . . . 56.12 111.314 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -100.73 19.62 16.75 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.77 0.795 . . . . 75.21 109.443 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -111.37 135.92 51.24 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 114.745 -1.116 . . . . 52.07 111.53 179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.7 tt -105.55 125.74 51.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.429 -1.26 . . . . 43.59 109.325 169.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.1 138.11 42.87 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 123.97 0.794 . . . . 47.48 110.042 -177.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.7 tp -140.11 123.23 16.76 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.04 -0.982 . . . . 39.67 109.449 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -117.03 128.68 55.4 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.876 -1.157 . . . . 53.39 107.876 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 mt -114.48 135.47 54.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.297 -1.371 . . . . 33.15 107.297 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.6 p -128.68 137.73 51.77 Favored 'General case' 0 CA--C 1.502 -0.901 0 C-N-CA 119.295 -0.962 . . . . 38.89 109.928 -174.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 21.6 t -145.16 125.04 13.44 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.958 -1.497 . . . . 39.0 106.958 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 56.34 -123.96 33.14 Favored Glycine 0 C--O 1.222 -0.595 0 N-CA-C 111.05 -0.82 . . . . 48.16 111.05 -176.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 48.6 p-10 -93.73 3.67 55.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.099 0.476 . . . . 65.08 111.706 -178.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -103.52 132.88 49.4 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.462 0.541 . . . . 43.63 112.462 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 38.5 t -120.81 129.81 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 CA-C-N 116.448 -0.342 . . . . 36.54 111.052 179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 3.4 t -114.08 126.88 55.6 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 36.85 110.189 174.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -113.72 125.12 53.77 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 120.969 0.414 . . . . 69.47 111.918 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -122.06 147.24 46.35 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.703 -0.68 . . . . 38.55 109.899 179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.94 134.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 108.124 -1.065 . . . . 37.83 108.124 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.46 148.29 44.0 Favored 'General case' 0 C--O 1.244 0.804 0 N-CA-C 108.728 -0.842 . . . . 41.04 108.728 177.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -102.74 144.26 31.32 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 107.382 -1.34 . . . . 63.05 107.382 173.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 70.3 tttt -75.03 128.06 34.67 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.878 -0.729 . . . . 48.93 109.346 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt . . . . . 0 N--CA 1.444 -0.725 0 CA-C-N 116.08 -0.509 . . . . 66.4 111.086 175.183 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_