data_6q77_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 6q77 _Structure_validation_residue.Date_analyzed 2019-03-15 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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 120.523 0.202 . . . . 51.58 111.181 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 m -57.09 134.82 56.17 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.478 1.111 . . . . 69.99 110.232 172.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -129.59 155.58 45.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.843 -0.617 . . . . 60.75 109.493 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.5 9.77 80.94 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-O 119.116 -0.825 . . . . 57.93 114.718 175.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -114.12 127.71 71.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 107.785 -1.191 . . . . 60.17 107.785 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -135.24 141.65 45.81 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.798 0.332 . . . . 81.43 110.43 -178.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.8 m -101.06 119.33 38.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.277 -0.638 . . . . 95.18 109.277 174.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.93 152.4 41.66 Favored Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 109.693 -0.484 . . . . 77.7 109.693 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -54.52 139.73 75.15 Favored 'Trans proline' 0 C--N 1.331 -0.376 0 N-CA-C 109.37 -1.05 . . . . 76.9 109.37 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 150.69 46.25 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.671 -0.695 . . . . 87.57 111.388 -167.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 58.59 33.4 23.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.279 -0.873 . . . . 103.31 111.914 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . 0.446 ' N ' ' OG ' ' A' ' 57' ' ' SER . 58.7 m -113.72 137.86 51.03 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.324 -0.621 . . . . 81.66 109.324 -179.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -77.28 151.7 34.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.503 0.668 . . . . 88.35 110.203 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -153.3 152.44 31.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.319 -0.855 . . . . 70.51 108.957 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.66 152.25 19.69 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.552 -1.019 . . . . 65.62 110.552 174.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.3 136.21 32.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.493 -1.299 . . . . 70.06 107.493 170.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -142.45 136.97 29.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.052 -1.092 . . . . 59.85 108.052 -171.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.35 145.35 48.81 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.295 0.569 . . . . 57.92 110.939 -176.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.59 149.48 50.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.034 -0.984 . . . . 60.83 108.603 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.39 138.44 51.35 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.351 -0.386 . . . . 55.1 110.208 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -148.07 75.35 1.33 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 106.323 -1.732 . . . . 59.21 106.323 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t -168.79 155.09 6.81 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.302 -0.999 . . . . 70.56 108.302 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -71.3 -28.62 64.24 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.194 -0.912 . . . . 77.97 110.903 173.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 151.01 38.81 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.747 -0.74 . . . . 71.2 111.98 175.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . 0.726 ' O ' ' O ' ' A' ' 301' ' ' HOH . 31.5 m -78.41 126.19 30.42 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.122 -0.695 . . . . 66.32 109.122 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -94.44 137.74 33.21 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.818 0.342 . . . . 61.3 111.459 -175.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -122.35 125.14 45.29 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.051 -0.722 . . . . 67.63 109.051 169.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -116.48 130.31 71.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 124.771 1.229 . . . . 67.56 108.442 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -116.47 146.82 42.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.377 0.671 . . . . 78.93 109.337 173.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -124.5 120.03 57.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.382 -0.969 . . . . 65.1 108.382 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.9 mt -105.71 119.38 39.0 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.987 -0.745 . . . . 82.42 108.987 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.82 111.34 35.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 106.987 -1.486 . . . . 77.58 106.987 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER 60.3 43.25 13.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.542 0.687 . . . . 103.69 110.509 -176.061 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.33 26.4 12.08 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.581 -0.736 . . . . 100.75 112.483 174.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -129.91 131.21 45.94 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.065 -1.087 . . . . 85.13 108.065 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.4 m -64.17 120.17 11.61 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.283 0.365 . . . . 91.22 110.131 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.99 -24.34 8.14 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 114.375 1.25 . . . . 76.53 114.375 -174.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.12 151.37 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.591 -0.892 . . . . 68.58 108.591 171.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -143.78 135.92 26.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.872 -0.731 . . . . 87.9 110.358 172.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -119.1 150.68 39.6 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.974 0.509 . . . . 73.06 110.01 178.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.7 p -148.24 152.13 36.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.481 -0.888 . . . . 91.25 110.063 168.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.94 173.68 39.54 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.134 -1.586 . . . . 69.83 109.134 -179.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -134.63 136.23 42.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.853 -0.795 . . . . 84.52 108.853 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -155.91 137.64 14.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.724 -1.213 . . . . 63.48 107.724 172.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -93.15 10.39 31.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.833 0.708 . . . . 96.9 111.626 162.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.78 33.11 3.76 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.951 0.5 . . . . 95.52 111.939 -170.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.02 24.41 14.51 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.82 -0.55 . . . . 61.22 112.344 170.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.47 145.48 56.08 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 120.91 -1.119 . . . . 63.91 111.037 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.93 120.09 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 108.136 -1.061 . . . . 67.25 108.136 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.2 pt -99.76 -0.16 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 118.318 -1.353 . . . . 64.14 112.196 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.78 157.45 14.61 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.546 -0.835 . . . . 70.53 111.704 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -160.92 143.93 12.92 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.068 -1.086 . . . . 66.54 108.068 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -165.09 146.15 7.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.388 -0.925 . . . . 98.66 110.069 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.6 t -85.73 132.6 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.166 -1.05 . . . . 69.88 108.166 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mp -128.64 177.35 7.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.261 0.553 . . . . 94.67 109.661 175.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -118.76 141.57 48.5 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.404 0.682 . . . . 87.36 109.569 173.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 12' ' ' THR . 8.6 p -66.86 -28.72 68.57 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.694 -0.684 . . . . 87.11 112.544 -178.038 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.32 -167.59 53.34 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 122.449 1.027 . . . . 97.96 112.735 -177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.8 p -69.51 -31.24 69.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.59 -0.805 . . . . 103.56 112.131 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.7 p -82.29 -44.87 15.71 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.67 -0.412 . . . . 95.74 111.751 -175.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.93 -7.32 66.82 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-O 119.157 -0.801 . . . . 77.06 114.32 -166.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.75 109.47 7.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.377 1.088 . . . . 84.23 110.11 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 82.5 t -110.53 133.65 55.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.281 -1.377 . . . . 70.92 107.281 172.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -135.23 130.37 35.13 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.53 -0.544 . . . . 72.87 109.53 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.9 137.28 25.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.492 1.117 . . . . 59.73 109.101 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -126.3 148.28 49.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.475 -0.565 . . . . 98.54 109.475 172.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.9 t -135.53 134.67 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 55.47 108.778 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 p -141.78 157.7 44.7 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.136 -0.69 . . . . 72.27 109.136 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.1 107.37 13.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.006 -1.109 . . . . 71.88 108.006 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.1 29.75 17.09 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.741 0.305 . . . . 89.63 111.282 -174.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.7 28.62 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 119.462 -0.632 . . . . 76.14 114.502 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -79.77 118.16 71.01 Favored Pre-proline 0 C--O 1.244 0.783 0 CA-C-N 117.903 0.851 . . . . 78.04 110.792 -176.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.17 132.98 52.34 Favored 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 120.121 1.079 . . . . 77.73 111.566 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -82.38 151.59 26.58 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.732 -0.667 . . . . 66.01 109.646 173.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.76 126.15 30.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.883 -0.599 . . . . 68.53 109.997 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt -98.91 151.42 20.89 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 122.111 0.958 . . . . 54.24 113.07 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.13 146.67 32.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 105.767 -1.938 . . . . 49.87 105.767 164.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 p -152.71 160.75 43.14 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.197 -1.001 . . . . 49.96 110.483 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.49 158.64 34.44 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.969 -1.014 . . . . 56.33 108.406 164.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -110.22 142.43 41.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 54.12 108.789 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.57 140.6 47.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.409 -0.96 . . . . 49.72 108.409 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.9 mt -127.86 124.01 62.09 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 N-CA-C 108.154 -1.054 . . . . 51.82 108.154 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.0 mt -104.03 138.24 40.84 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 123.602 0.761 . . . . 51.08 109.046 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.7 t 45.68 31.2 0.93 Allowed 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.009 0.924 . . . . 49.4 111.218 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.47 37.7 16.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.375 -0.829 . . . . 60.96 110.838 169.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -158.63 -45.08 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 C-N-CA 119.096 -1.042 . . . . 95.79 112.403 -171.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -97.67 122.02 40.26 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.64 -0.504 . . . . 56.88 109.64 -173.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -110.78 130.72 55.5 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.098 0.559 . . . . 57.93 111.467 -171.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.92 129.11 54.19 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.481 0.712 . . . . 55.08 109.604 167.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -108.03 120.82 43.41 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.672 -1.233 . . . . 51.99 107.672 166.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.7 mt -115.92 142.35 46.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.377 0.671 . . . . 50.37 110.699 -170.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.3 t -138.99 129.44 32.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.257 1.023 . . . . 49.25 109.091 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.96 165.8 12.71 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 108.334 -1.907 . . . . 47.2 108.334 165.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.5 p -153.36 150.53 28.97 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.481 -0.888 . . . . 52.86 110.208 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' OE2' ' N ' ' A' ' 97' ' ' GLY . 17.5 tp10 -125.91 123.35 38.39 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.733 -0.839 . . . . 54.72 108.733 -178.198 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 6.3 p30 -100.83 -2.76 31.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.759 0.652 . . . . 59.02 112.759 -179.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . 0.419 ' N ' ' OE2' ' A' ' 95' ' ' GLU . . . -143.27 -124.83 1.89 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.668 -1.253 . . . . 70.62 114.848 -175.472 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 50.6 p -121.04 -22.26 6.2 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.506 1.298 . . . . 77.43 114.506 -168.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . 0.543 ' OD2' ' O3 ' ' B' ' 1' ' ' ZDC . 32.8 p-10 -77.38 -8.52 57.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.002 0.819 . . . . 80.06 113.062 -174.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 49.01 39.29 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.906 0.882 . . . . 61.52 112.065 173.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -79.04 -18.13 54.05 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 116.142 -2.223 . . . . 60.39 111.5 166.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 58.89 22.9 10.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.785 0.834 . . . . 54.68 112.45 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -113.15 12.61 19.11 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.906 0.706 . . . . 58.46 112.906 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 82.3 m-20 -55.94 -52.91 62.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.622 0.249 . . . . 64.36 111.582 -174.122 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.2 132.63 54.54 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 106.973 -1.491 . . . . 52.83 106.973 160.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.7 t -119.05 126.63 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.732 -1.21 . . . . 52.52 107.732 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 19.6 t -124.0 137.86 55.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 120.714 0.292 . . . . 52.05 110.249 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.96 123.24 58.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 108.492 -0.929 . . . . 51.68 108.492 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.2 mt -112.72 136.09 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.49 -0.93 . . . . 60.5 108.49 173.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -141.18 149.37 41.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.449 -0.9 . . . . 52.76 110.337 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -169.83 163.29 6.71 Favored Pre-proline 0 C--O 1.221 -0.435 0 N-CA-C 108.093 -1.077 . . . . 56.98 108.093 178.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.85 166.9 47.12 Favored 'Cis proline' 0 C--O 1.238 0.484 0 C-N-CA 130.644 1.518 . . . . 66.29 112.447 -3.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.8 -174.77 2.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.767 0.794 . . . . 67.75 109.918 173.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 CA-C-O 122.322 0.957 . . . . 74.18 114.193 176.888 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ZDC . . . . . 0.543 ' O3 ' ' OD2' ' A' ' 99' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.726 ' O ' ' O ' ' A' ' 25' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 120.523 0.202 . . . . 51.58 111.181 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 m -57.09 134.82 56.17 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.478 1.111 . . . . 69.99 110.232 172.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -129.59 155.58 45.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.843 -0.617 . . . . 60.75 109.493 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.5 9.77 80.94 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-O 119.116 -0.825 . . . . 57.93 114.718 175.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -114.12 127.71 71.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 107.785 -1.191 . . . . 60.17 107.785 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -135.24 141.65 45.81 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.798 0.332 . . . . 81.43 110.43 -178.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.8 m -101.06 119.33 38.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.277 -0.638 . . . . 95.18 109.277 174.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.93 152.4 41.66 Favored Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 109.693 -0.484 . . . . 77.7 109.693 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -54.52 139.73 75.15 Favored 'Trans proline' 0 C--N 1.331 -0.376 0 N-CA-C 109.37 -1.05 . . . . 76.9 109.37 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 150.69 46.25 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.671 -0.695 . . . . 87.57 111.388 -167.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 58.59 33.4 23.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.279 -0.873 . . . . 103.31 111.914 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.7 m -113.72 137.86 51.03 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.324 -0.621 . . . . 81.66 109.324 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HB3' HD12 ' A' ' 113' ' ' LEU . 45.0 mtm180 -77.28 151.7 34.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.503 0.668 . . . . 88.35 110.203 178.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 55' ' ' LEU . 39.1 p90 -153.3 152.44 31.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.319 -0.855 . . . . 70.51 108.957 -179.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.66 152.25 19.69 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.552 -1.019 . . . . 65.62 110.552 174.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.3 136.21 32.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.493 -1.299 . . . . 70.06 107.493 170.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -142.45 136.97 29.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.052 -1.092 . . . . 59.85 108.052 -171.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.35 145.35 48.81 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.295 0.569 . . . . 57.92 110.939 -176.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.59 149.48 50.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.034 -0.984 . . . . 60.83 108.603 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.39 138.44 51.35 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.351 -0.386 . . . . 55.1 110.208 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 104' ' ' ASP . 65.9 m-80 -148.07 75.35 1.33 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 106.323 -1.732 . . . . 59.21 106.323 175.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t -168.79 155.09 6.81 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.302 -0.999 . . . . 70.56 108.302 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . 0.513 ' OG ' HD13 ' B' ' 2' ' ' DLE . 2.5 t -71.3 -28.62 64.24 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.194 -0.912 . . . . 77.97 110.903 173.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 151.01 38.81 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.747 -0.74 . . . . 71.2 111.98 175.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . 0.726 ' O ' ' O ' ' A' ' 301' ' ' HOH . 31.5 m -78.41 126.19 30.42 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.122 -0.695 . . . . 66.32 109.122 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -94.44 137.74 33.21 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.818 0.342 . . . . 61.3 111.459 -175.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -122.35 125.14 45.29 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.051 -0.722 . . . . 67.63 109.051 169.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -116.48 130.31 71.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 124.771 1.229 . . . . 67.56 108.442 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -116.47 146.82 42.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.377 0.671 . . . . 78.93 109.337 173.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -124.5 120.03 57.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.382 -0.969 . . . . 65.1 108.382 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.9 mt -105.71 119.38 39.0 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.987 -0.745 . . . . 82.42 108.987 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.82 111.34 35.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 106.987 -1.486 . . . . 77.58 106.987 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . 0.469 HD22 ' C ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER 60.3 43.25 13.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.542 0.687 . . . . 103.69 110.509 -176.061 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.33 26.4 12.08 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.581 -0.736 . . . . 100.75 112.483 174.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -129.91 131.21 45.94 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.065 -1.087 . . . . 85.13 108.065 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.4 m -64.17 120.17 11.61 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.283 0.365 . . . . 91.22 110.131 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.99 -24.34 8.14 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 114.375 1.25 . . . . 76.53 114.375 -174.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.12 151.37 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.591 -0.892 . . . . 68.58 108.591 171.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -143.78 135.92 26.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.872 -0.731 . . . . 87.9 110.358 172.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -119.1 150.68 39.6 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.974 0.509 . . . . 73.06 110.01 178.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.7 p -148.24 152.13 36.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.481 -0.888 . . . . 91.25 110.063 168.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.94 173.68 39.54 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.134 -1.586 . . . . 69.83 109.134 -179.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 309' ' ' HOH . 17.5 tm0? -134.63 136.23 42.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.853 -0.795 . . . . 84.52 108.853 171.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -155.91 137.64 14.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.724 -1.213 . . . . 63.48 107.724 172.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -93.15 10.39 31.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.833 0.708 . . . . 96.9 111.626 162.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.78 33.11 3.76 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.951 0.5 . . . . 95.52 111.939 -170.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.7 t30 63.02 24.41 14.51 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.82 -0.55 . . . . 61.22 112.344 170.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.47 145.48 56.08 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 120.91 -1.119 . . . . 63.91 111.037 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.93 120.09 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 108.136 -1.061 . . . . 67.25 108.136 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.2 pt -99.76 -0.16 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 118.318 -1.353 . . . . 64.14 112.196 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.78 157.45 14.61 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.546 -0.835 . . . . 70.53 111.704 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -160.92 143.93 12.92 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.068 -1.086 . . . . 66.54 108.068 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLN . . . . . 0.517 ' HG2' HD12 ' A' ' 55' ' ' LEU . 5.2 tt0 -165.09 146.15 7.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.388 -0.925 . . . . 98.66 110.069 179.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.6 t -85.73 132.6 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.166 -1.05 . . . . 69.88 108.166 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 53' ' ' GLN . 7.1 mp -128.64 177.35 7.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.261 0.553 . . . . 94.67 109.661 175.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -118.76 141.57 48.5 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.404 0.682 . . . . 87.36 109.569 173.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . 8.6 p -66.86 -28.72 68.57 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.694 -0.684 . . . . 87.11 112.544 -178.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.32 -167.59 53.34 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 122.449 1.027 . . . . 97.96 112.735 -177.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.8 p -69.51 -31.24 69.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.59 -0.805 . . . . 103.56 112.131 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.7 p -82.29 -44.87 15.71 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.67 -0.412 . . . . 95.74 111.751 -175.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . 0.445 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 82.93 -7.32 66.82 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-O 119.157 -0.801 . . . . 77.06 114.32 -166.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.75 109.47 7.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.377 1.088 . . . . 84.23 110.11 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 82.5 t -110.53 133.65 55.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.281 -1.377 . . . . 70.92 107.281 172.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -135.23 130.37 35.13 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.53 -0.544 . . . . 72.87 109.53 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.9 137.28 25.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.492 1.117 . . . . 59.73 109.101 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -126.3 148.28 49.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.475 -0.565 . . . . 98.54 109.475 172.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.9 t -135.53 134.67 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 55.47 108.778 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 p -141.78 157.7 44.7 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.136 -0.69 . . . . 72.27 109.136 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.1 107.37 13.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.006 -1.109 . . . . 71.88 108.006 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.1 29.75 17.09 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.741 0.305 . . . . 89.63 111.282 -174.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.7 28.62 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 119.462 -0.632 . . . . 76.14 114.502 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -79.77 118.16 71.01 Favored Pre-proline 0 C--O 1.244 0.783 0 CA-C-N 117.903 0.851 . . . . 78.04 110.792 -176.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.17 132.98 52.34 Favored 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 120.121 1.079 . . . . 77.73 111.566 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -82.38 151.59 26.58 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.732 -0.667 . . . . 66.01 109.646 173.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.76 126.15 30.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.883 -0.599 . . . . 68.53 109.997 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt -98.91 151.42 20.89 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 122.111 0.958 . . . . 54.24 113.07 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.13 146.67 32.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 105.767 -1.938 . . . . 49.87 105.767 164.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 p -152.71 160.75 43.14 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.197 -1.001 . . . . 49.96 110.483 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.49 158.64 34.44 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.969 -1.014 . . . . 56.33 108.406 164.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -110.22 142.43 41.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 54.12 108.789 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.57 140.6 47.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.409 -0.96 . . . . 49.72 108.409 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.9 mt -127.86 124.01 62.09 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 N-CA-C 108.154 -1.054 . . . . 51.82 108.154 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.0 mt -104.03 138.24 40.84 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 123.602 0.761 . . . . 51.08 109.046 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.7 t 45.68 31.2 0.93 Allowed 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.009 0.924 . . . . 49.4 111.218 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.47 37.7 16.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.375 -0.829 . . . . 60.96 110.838 169.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -158.63 -45.08 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 C-N-CA 119.096 -1.042 . . . . 95.79 112.403 -171.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -97.67 122.02 40.26 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.64 -0.504 . . . . 56.88 109.64 -173.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -110.78 130.72 55.5 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.098 0.559 . . . . 57.93 111.467 -171.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.92 129.11 54.19 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.481 0.712 . . . . 55.08 109.604 167.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' A' ' 109' ' ' ILE . . . -108.03 120.82 43.41 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.672 -1.233 . . . . 51.99 107.672 166.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.7 mt -115.92 142.35 46.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.377 0.671 . . . . 50.37 110.699 -170.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.3 t -138.99 129.44 32.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.257 1.023 . . . . 49.25 109.091 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.96 165.8 12.71 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 108.334 -1.907 . . . . 47.2 108.334 165.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.5 p -153.36 150.53 28.97 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.481 -0.888 . . . . 52.86 110.208 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -125.91 123.35 38.39 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.733 -0.839 . . . . 54.72 108.733 -178.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -100.83 -2.76 31.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.759 0.652 . . . . 59.02 112.759 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.27 -124.83 1.89 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.668 -1.253 . . . . 70.62 114.848 -175.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 50.6 p -121.04 -22.26 6.2 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.506 1.298 . . . . 77.43 114.506 -168.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . 0.543 ' OD2' ' O3 ' ' B' ' 1' ' ' ZDC . 32.8 p-10 -77.38 -8.52 57.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.002 0.819 . . . . 80.06 113.062 -174.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 49.01 39.29 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.906 0.882 . . . . 61.52 112.065 173.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -79.04 -18.13 54.05 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 116.142 -2.223 . . . . 60.39 111.5 166.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 58.89 22.9 10.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.785 0.834 . . . . 54.68 112.45 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -113.15 12.61 19.11 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.906 0.706 . . . . 58.46 112.906 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 82.3 m-20 -55.94 -52.91 62.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.622 0.249 . . . . 64.36 111.582 -174.122 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -122.2 132.63 54.54 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 106.973 -1.491 . . . . 52.83 106.973 160.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.7 t -119.05 126.63 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.732 -1.21 . . . . 52.52 107.732 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 19.6 t -124.0 137.86 55.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 120.714 0.292 . . . . 52.05 110.249 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.96 123.24 58.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 108.492 -0.929 . . . . 51.68 108.492 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 90' ' ' ALA . 76.2 mt -112.72 136.09 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.49 -0.93 . . . . 60.5 108.49 173.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -141.18 149.37 41.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.449 -0.9 . . . . 52.76 110.337 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -169.83 163.29 6.71 Favored Pre-proline 0 C--O 1.221 -0.435 0 N-CA-C 108.093 -1.077 . . . . 56.98 108.093 178.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.85 166.9 47.12 Favored 'Cis proline' 0 C--O 1.238 0.484 0 C-N-CA 130.644 1.518 . . . . 66.29 112.447 -3.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 13' ' ' ARG . 10.6 mt -110.8 -174.77 2.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.767 0.794 . . . . 67.75 109.918 173.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 CA-C-O 122.322 0.957 . . . . 74.18 114.193 176.888 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' DLE . . . . . 0.513 HD13 ' OG ' ' A' ' 23' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ZDC . . . . . 0.543 ' O3 ' ' OD2' ' A' ' 99' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.726 ' O ' ' O ' ' A' ' 25' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 120.523 0.202 . . . . 51.58 111.181 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.6 m -57.09 134.82 56.17 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 124.478 1.111 . . . . 69.99 110.232 172.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -129.59 155.58 45.57 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.843 -0.617 . . . . 60.75 109.493 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.5 9.77 80.94 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-O 119.116 -0.825 . . . . 57.93 114.718 175.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.0 t -114.12 127.71 71.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 107.785 -1.191 . . . . 60.17 107.785 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -135.24 141.65 45.81 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 120.798 0.332 . . . . 81.43 110.43 -178.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.8 m -101.06 119.33 38.58 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.277 -0.638 . . . . 95.18 109.277 174.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.93 152.4 41.66 Favored Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 109.693 -0.484 . . . . 77.7 109.693 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -54.52 139.73 75.15 Favored 'Trans proline' 0 C--N 1.331 -0.376 0 N-CA-C 109.37 -1.05 . . . . 76.9 109.37 172.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.15 150.69 46.25 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.671 -0.695 . . . . 87.57 111.388 -167.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 58.59 33.4 23.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.279 -0.873 . . . . 103.31 111.914 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 58.7 m -113.72 137.86 51.03 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.324 -0.621 . . . . 81.66 109.324 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HB3' HD12 ' A' ' 113' ' ' LEU . 45.0 mtm180 -77.28 151.7 34.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.503 0.668 . . . . 88.35 110.203 178.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 55' ' ' LEU . 39.1 p90 -153.3 152.44 31.14 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.319 -0.855 . . . . 70.51 108.957 -179.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.66 152.25 19.69 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.552 -1.019 . . . . 65.62 110.552 174.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.3 136.21 32.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.493 -1.299 . . . . 70.06 107.493 170.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 88.6 m -142.45 136.97 29.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.052 -1.092 . . . . 59.85 108.052 -171.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.35 145.35 48.81 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.295 0.569 . . . . 57.92 110.939 -176.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -128.59 149.48 50.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.034 -0.984 . . . . 60.83 108.603 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.39 138.44 51.35 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.351 -0.386 . . . . 55.1 110.208 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.844 HD21 HD22 ' A' ' 47' ' ' ASN . 65.9 m-80 -148.07 75.35 1.33 Allowed 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 106.323 -1.732 . . . . 59.21 106.323 175.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t -168.79 155.09 6.81 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.302 -0.999 . . . . 70.56 108.302 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . 0.513 ' OG ' HD13 ' B' ' 2' ' ' DLE . 2.5 t -71.3 -28.62 64.24 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.194 -0.912 . . . . 77.97 110.903 173.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.71 151.01 38.81 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.747 -0.74 . . . . 71.2 111.98 175.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . 0.726 ' O ' ' O ' ' A' ' 301' ' ' HOH . 31.5 m -78.41 126.19 30.42 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.122 -0.695 . . . . 66.32 109.122 179.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 105' ' ' ALA . 17.6 mm100 -94.44 137.74 33.21 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.818 0.342 . . . . 61.3 111.459 -175.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.4 m -122.35 125.14 45.29 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 109.051 -0.722 . . . . 67.63 109.051 169.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 79.1 t -116.48 130.31 71.51 Favored 'Isoleucine or valine' 0 C--O 1.24 0.597 0 C-N-CA 124.771 1.229 . . . . 67.56 108.442 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -116.47 146.82 42.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.377 0.671 . . . . 78.93 109.337 173.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.6 t -124.5 120.03 57.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.382 -0.969 . . . . 65.1 108.382 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.9 mt -105.71 119.38 39.0 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.987 -0.745 . . . . 82.42 108.987 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.82 111.34 35.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 106.987 -1.486 . . . . 77.58 106.987 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.469 HD22 ' C ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER 60.3 43.25 13.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.542 0.687 . . . . 103.69 110.509 -176.061 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 65.33 26.4 12.08 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.581 -0.736 . . . . 100.75 112.483 174.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -129.91 131.21 45.94 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 108.065 -1.087 . . . . 85.13 108.065 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.4 m -64.17 120.17 11.61 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.283 0.365 . . . . 91.22 110.131 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -115.99 -24.34 8.14 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 114.375 1.25 . . . . 76.53 114.375 -174.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.12 151.37 31.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.591 -0.892 . . . . 68.58 108.591 171.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.4 t -143.78 135.92 26.68 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 119.872 -0.731 . . . . 87.9 110.358 172.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -119.1 150.68 39.6 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 122.974 0.509 . . . . 73.06 110.01 178.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.7 p -148.24 152.13 36.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 119.481 -0.888 . . . . 91.25 110.063 168.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.94 173.68 39.54 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.134 -1.586 . . . . 69.83 109.134 -179.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 309' ' ' HOH . 17.5 tm0? -134.63 136.23 42.73 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.853 -0.795 . . . . 84.52 108.853 171.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.6 t -155.91 137.64 14.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.724 -1.213 . . . . 63.48 107.724 172.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 t -93.15 10.39 31.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.833 0.708 . . . . 96.9 111.626 162.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -132.78 33.11 3.76 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 122.951 0.5 . . . . 95.52 111.939 -170.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.844 HD22 HD21 ' A' ' 21' ' ' ASN . 4.6 t-20 63.02 24.41 14.51 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 121.82 -0.55 . . . . 61.22 112.344 170.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.47 145.48 56.08 Favored 'General case' 0 C--O 1.239 0.51 0 O-C-N 120.91 -1.119 . . . . 63.91 111.037 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.93 120.09 20.97 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.4 0 N-CA-C 108.136 -1.061 . . . . 67.25 108.136 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 47.2 pt -99.76 -0.16 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 C-N-CA 118.318 -1.353 . . . . 64.14 112.196 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.78 157.45 14.61 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.546 -0.835 . . . . 70.53 111.704 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -160.92 143.93 12.92 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.068 -1.086 . . . . 66.54 108.068 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.517 ' HG2' HD12 ' A' ' 55' ' ' LEU . 5.2 tt0 -165.09 146.15 7.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 119.388 -0.925 . . . . 98.66 110.069 179.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.6 t -85.73 132.6 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.166 -1.05 . . . . 69.88 108.166 169.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 53' ' ' GLN . 7.1 mp -128.64 177.35 7.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.261 0.553 . . . . 94.67 109.661 175.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -118.76 141.57 48.5 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.404 0.682 . . . . 87.36 109.569 173.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . 0.445 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . 8.6 p -66.86 -28.72 68.57 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.694 -0.684 . . . . 87.11 112.544 -178.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.32 -167.59 53.34 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-O 122.449 1.027 . . . . 97.96 112.735 -177.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 55.8 p -69.51 -31.24 69.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 114.59 -0.805 . . . . 103.56 112.131 -179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 84.7 p -82.29 -44.87 15.71 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.67 -0.412 . . . . 95.74 111.751 -175.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.445 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 82.93 -7.32 66.82 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-O 119.157 -0.801 . . . . 77.06 114.32 -166.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.75 109.47 7.29 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 118.377 1.088 . . . . 84.23 110.11 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 82.5 t -110.53 133.65 55.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 107.281 -1.377 . . . . 70.92 107.281 172.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -135.23 130.37 35.13 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.53 -0.544 . . . . 72.87 109.53 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.9 137.28 25.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.492 1.117 . . . . 59.73 109.101 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -126.3 148.28 49.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.475 -0.565 . . . . 98.54 109.475 172.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.9 t -135.53 134.67 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 108.778 -0.823 . . . . 55.47 108.778 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 p -141.78 157.7 44.7 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.136 -0.69 . . . . 72.27 109.136 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -131.1 107.37 13.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 108.006 -1.109 . . . . 71.88 108.006 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.1 29.75 17.09 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.741 0.305 . . . . 89.63 111.282 -174.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.97 -24.7 28.62 Favored Glycine 0 C--N 1.34 0.768 0 CA-C-O 119.462 -0.632 . . . . 76.14 114.502 176.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -79.77 118.16 71.01 Favored Pre-proline 0 C--O 1.244 0.783 0 CA-C-N 117.903 0.851 . . . . 78.04 110.792 -176.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.17 132.98 52.34 Favored 'Trans proline' 0 C--N 1.321 -0.908 0 CA-C-N 120.121 1.079 . . . . 77.73 111.566 178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 m -82.38 151.59 26.58 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.732 -0.667 . . . . 66.01 109.646 173.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -77.76 126.15 30.43 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.883 -0.599 . . . . 68.53 109.997 173.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt -98.91 151.42 20.89 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-O 122.111 0.958 . . . . 54.24 113.07 -175.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.13 146.67 32.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 N-CA-C 105.767 -1.938 . . . . 49.87 105.767 164.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 p -152.71 160.75 43.14 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.197 -1.001 . . . . 49.96 110.483 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.49 158.64 34.44 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.969 -1.014 . . . . 56.33 108.406 164.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -110.22 142.43 41.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.279 -0.873 . . . . 54.12 108.789 172.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.5 t -132.57 140.6 47.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 108.409 -0.96 . . . . 49.72 108.409 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.9 mt -127.86 124.01 62.09 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 N-CA-C 108.154 -1.054 . . . . 51.82 108.154 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 30.0 mt -104.03 138.24 40.84 Favored 'General case' 0 CA--C 1.513 -0.465 0 C-N-CA 123.602 0.761 . . . . 51.08 109.046 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.7 t 45.68 31.2 0.93 Allowed 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.009 0.924 . . . . 49.4 111.218 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 61.47 37.7 16.41 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.375 -0.829 . . . . 60.96 110.838 169.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -158.63 -45.08 0.06 Allowed 'General case' 0 C--O 1.24 0.571 0 C-N-CA 119.096 -1.042 . . . . 95.79 112.403 -171.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.7 tp -97.67 122.02 40.26 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.64 -0.504 . . . . 56.88 109.64 -173.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -110.78 130.72 55.5 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.098 0.559 . . . . 57.93 111.467 -171.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -119.92 129.11 54.19 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.481 0.712 . . . . 55.08 109.604 167.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' A' ' 109' ' ' ILE . . . -108.03 120.82 43.41 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.672 -1.233 . . . . 51.99 107.672 166.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.7 mt -115.92 142.35 46.89 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.377 0.671 . . . . 50.37 110.699 -170.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.3 t -138.99 129.44 32.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.257 1.023 . . . . 49.25 109.091 -179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.96 165.8 12.71 Favored Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 108.334 -1.907 . . . . 47.2 108.334 165.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.5 p -153.36 150.53 28.97 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.481 -0.888 . . . . 52.86 110.208 -176.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -125.91 123.35 38.39 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 108.733 -0.839 . . . . 54.72 108.733 -178.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -100.83 -2.76 31.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 112.759 0.652 . . . . 59.02 112.759 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.27 -124.83 1.89 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.668 -1.253 . . . . 70.62 114.848 -175.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 50.6 p -121.04 -22.26 6.2 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 114.506 1.298 . . . . 77.43 114.506 -168.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.543 ' OD2' ' O3 ' ' B' ' 1' ' ' ZDC . 32.8 p-10 -77.38 -8.52 57.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 119.002 0.819 . . . . 80.06 113.062 -174.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 49.01 39.29 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 123.906 0.882 . . . . 61.52 112.065 173.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -79.04 -18.13 54.05 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 116.142 -2.223 . . . . 60.39 111.5 166.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 58.89 22.9 10.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.785 0.834 . . . . 54.68 112.45 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -113.15 12.61 19.11 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.906 0.706 . . . . 58.46 112.906 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 82.3 m-20 -55.94 -52.91 62.46 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.622 0.249 . . . . 64.36 111.582 -174.122 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.445 ' HB2' HE21 ' A' ' 26' ' ' GLN . . . -122.2 132.63 54.54 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 106.973 -1.491 . . . . 52.83 106.973 160.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.7 t -119.05 126.63 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 107.732 -1.21 . . . . 52.52 107.732 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 19.6 t -124.0 137.86 55.61 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 120.714 0.292 . . . . 52.05 110.249 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.5 t -128.96 123.24 58.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 108.492 -0.929 . . . . 51.68 108.492 -176.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 90' ' ' ALA . 76.2 mt -112.72 136.09 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.49 -0.93 . . . . 60.5 108.49 173.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -141.18 149.37 41.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 119.449 -0.9 . . . . 52.76 110.337 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 7.6 p90 -169.83 163.29 6.71 Favored Pre-proline 0 C--O 1.221 -0.435 0 N-CA-C 108.093 -1.077 . . . . 56.98 108.093 178.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.85 166.9 47.12 Favored 'Cis proline' 0 C--O 1.238 0.484 0 C-N-CA 130.644 1.518 . . . . 66.29 112.447 -3.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 13' ' ' ARG . 10.6 mt -110.8 -174.77 2.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.767 0.794 . . . . 67.75 109.918 173.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 CA-C-O 122.322 0.957 . . . . 74.18 114.193 176.888 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' DLE . . . . . 0.513 HD13 ' OG ' ' A' ' 23' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ZDC . . . . . 0.543 ' O3 ' ' OD2' ' A' ' 99' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.726 ' O ' ' O ' ' A' ' 25' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . 0.405 ' O ' ' HA ' ' A' ' 43' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_