data_4mml_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4mml _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.012 -1.235 . . . . 42.2 110.012 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 22.92 56.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.381 1.472 . . . . 51.36 114.404 -178.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -100.07 146.81 26.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.385 -0.968 . . . . 40.4 108.385 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 tp -120.45 -31.8 4.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.618 -0.719 . . . . 31.01 109.594 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.91 -42.26 99.73 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 113.696 0.998 . . . . 26.23 113.696 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.78 -54.06 31.41 Favored Pre-proline 0 CA--C 1.514 -0.422 0 CA-C-O 119.34 -0.362 . . . . 42.96 111.157 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -54.59 -40.79 82.35 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 116.777 -1.682 . . . . 25.23 113.588 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -61.9 -56.49 18.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.52 0.563 . . . . 29.57 112.52 -178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.75 -33.8 76.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.845 0.683 . . . . 22.39 112.845 -178.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.45 -32.74 72.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.058 0.762 . . . . 34.63 113.058 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.0 m -67.72 -49.59 61.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.333 -0.849 . . . . 29.32 111.055 175.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.63 -38.74 75.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 26.1 112.02 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -68.43 -51.24 45.97 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.839 -0.619 . . . . 30.11 111.349 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -60.88 -40.89 94.7 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 40.07 112.85 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -93.26 6.42 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.757 -0.377 . . . . 33.21 111.92 -175.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 54.19 36.66 25.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.774 -0.648 . . . . 50.3 110.54 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.6 t -74.69 128.02 86.21 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 119.249 -0.98 . . . . 30.12 109.295 -175.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -60.03 133.54 50.93 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.319 1.346 . . . . 29.93 110.782 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.23 158.12 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 112.446 0.536 . . . . 26.37 112.446 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.7 m -106.06 125.94 51.6 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 107.055 -1.461 . . . . 28.36 107.055 165.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.24 113.94 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 107.494 -1.298 . . . . 23.94 107.494 171.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -89.96 127.77 36.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.866 -1.161 . . . . 35.8 107.866 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.73 164.42 12.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.674 -0.811 . . . . 24.06 111.544 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.25 -4.98 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.917 -0.583 . . . . 31.17 111.81 -173.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -103.16 8.62 38.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 30.77 111.645 176.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.27 -8.54 78.26 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.978 -0.63 . . . . 27.38 113.641 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.3 129.46 35.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 119.607 -0.837 . . . . 33.53 111.449 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -101.86 120.44 40.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.808 -0.633 . . . . 37.52 110.525 174.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -100.94 159.07 15.51 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 108.957 -0.756 . . . . 31.38 108.957 174.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -139.9 133.11 29.75 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 123.537 0.523 . . . . 43.06 110.521 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.19 -157.65 20.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.449 -0.405 . . . . 28.41 112.904 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -117.62 140.71 49.28 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.604 -0.887 . . . . 36.86 108.604 171.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.46 112.19 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 107.191 -1.411 . . . . 25.14 107.191 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -85.48 -38.07 19.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 119.636 -0.826 . . . . 46.45 109.203 175.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 t -164.12 160.75 21.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.415 -0.587 . . . . 28.88 109.415 -172.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.48 151.62 26.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.627 0.251 . . . . 24.28 110.627 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.86 -149.69 0.32 Allowed 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.337 -0.392 . . . . 21.94 110.199 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -71.04 -43.93 66.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.634 -0.826 . . . . 26.6 111.011 -172.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.45 -12.85 12.28 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.821 1.415 . . . . 25.5 114.821 -172.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.7 m -133.88 160.05 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 C-N-CA 119.802 -0.759 . . . . 21.16 112.385 -175.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.6 mt -123.64 138.99 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 107.307 -1.368 . . . . 22.27 107.307 170.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.9 tp -101.37 113.59 26.81 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.874 0.369 . . . . 31.52 110.549 175.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.5 121.47 44.01 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.907 -0.405 . . . . 28.0 109.907 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -100.39 144.35 29.5 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 111.968 0.359 . . . . 39.95 111.968 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -158.78 -83.25 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.416 -0.957 . . . . 53.01 108.416 146.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -72.14 -56.85 4.88 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 122.011 -0.431 . . . . 54.62 110.855 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.83 160.72 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 109.411 -0.589 . . . . 46.54 109.411 161.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -84.12 111.65 19.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.918 -0.583 . . . . 35.44 109.856 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -102.86 147.68 26.59 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.809 -0.632 . . . . 36.0 112.346 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 ttp -97.77 113.29 25.04 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 114.751 -1.113 . . . . 23.75 110.625 -177.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.76 127.95 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 115.528 -0.76 . . . . 20.52 109.471 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -79.1 127.51 32.1 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 123.76 0.663 . . . . 19.83 111.005 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.93 -32.74 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.387 0.514 . . . . 18.86 112.387 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -64.69 -18.26 64.83 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.163 -0.615 . . . . 19.38 110.168 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.56 -7.47 47.08 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.879 0.696 . . . . 18.6 112.879 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.98 135.07 26.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 N-CA-C 112.316 0.487 . . . . 20.19 112.316 -177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -88.98 -60.59 1.91 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.321 0.581 . . . . 28.56 112.499 170.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.4 p -142.78 141.41 31.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.566 -0.743 . . . . 27.62 111.342 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.12 120.18 51.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 121.477 0.656 . . . . 23.63 110.46 169.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.7 t -120.2 110.58 36.01 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.821 -0.627 . . . . 26.37 110.939 -173.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -74.01 154.77 47.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 O-C-N 122.587 0.783 . . . . 31.28 111.854 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -77.49 -14.47 59.67 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.901 -0.32 . . . . 33.84 110.597 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -138.25 152.74 72.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 C-N-CA 124.013 0.925 . . . . 37.0 109.158 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.4 147.39 93.48 Favored 'Trans proline' 0 CA--C 1.508 -0.819 0 N-CA-C 110.101 -0.769 . . . . 34.02 110.101 175.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 m -135.26 150.76 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 N-CA-C 107.863 -1.162 . . . . 36.82 107.863 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -126.15 139.95 52.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.754 -0.657 . . . . 62.81 111.957 -173.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.447 -0.608 0 CA-C-N 115.919 -0.582 . . . . 39.56 111.925 -172.863 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.422 0 O5'-C5'-C4' 113.014 2.01 . 0.0 '__' . 51.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.012 -1.235 . . . . 42.200000000000003 110.012 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 22.92 56.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.381 1.472 . . . . 51.359999999999999 114.404 -178.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -100.07 146.81 26.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.385 -0.968 . . . . 40.399999999999999 108.385 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 tp -120.45 -31.8 4.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.618 -0.719 . . . . 31.010000000000002 109.594 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.91 -42.26 99.73 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 113.696 0.998 . . . . 26.23 113.696 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . 0.563 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 98.3 m-20 -65.78 -54.06 31.41 Favored Pre-proline 0 CA--C 1.514 -0.422 0 CA-C-O 119.34 -0.362 . . . . 42.960000000000001 111.157 179.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 9' ' ' ASP . 74.5 Cg_exo -54.59 -40.79 82.35 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 116.777 -1.682 . . . . 25.23 113.588 176.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -61.9 -56.49 18.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.52 0.563 . . . . 29.57 112.52 -178.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.75 -33.8 76.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.845 0.683 . . . . 22.390000000000001 112.845 -178.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.45 -32.74 72.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.058 0.762 . . . . 34.630000000000003 113.058 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.0 m -67.72 -49.59 61.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.333 -0.849 . . . . 29.32 111.055 175.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.63 -38.74 75.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 26.100000000000001 112.02 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -68.43 -51.24 45.97 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.839 -0.619 . . . . 30.109999999999999 111.349 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -60.88 -40.89 94.7 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 40.07 112.85 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -93.26 6.42 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.757 -0.377 . . . . 33.210000000000001 111.92 -175.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 54.19 36.66 25.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.774 -0.648 . . . . 50.299999999999997 110.54 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG22 ' NH1' ' A' ' 66' ' ' ARG . 17.6 t -74.69 128.02 86.21 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 119.249 -0.98 . . . . 30.120000000000001 109.295 -175.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -60.03 133.54 50.93 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.319 1.346 . . . . 29.93 110.782 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.23 158.12 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 112.446 0.536 . . . . 26.370000000000001 112.446 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.7 m -106.06 125.94 51.6 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 107.055 -1.461 . . . . 28.359999999999999 107.055 165.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.24 113.94 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 107.494 -1.298 . . . . 23.940000000000001 107.494 171.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -89.96 127.77 36.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.866 -1.161 . . . . 35.799999999999997 107.866 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.73 164.42 12.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.674 -0.811 . . . . 24.059999999999999 111.544 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.25 -4.98 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.917 -0.583 . . . . 31.170000000000002 111.81 -173.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -103.16 8.62 38.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 30.77 111.645 176.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.27 -8.54 78.26 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.978 -0.63 . . . . 27.379999999999999 113.641 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.3 129.46 35.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 119.607 -0.837 . . . . 33.530000000000001 111.449 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -101.86 120.44 40.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.808 -0.633 . . . . 37.520000000000003 110.525 174.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -100.94 159.07 15.51 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 108.957 -0.756 . . . . 31.379999999999999 108.957 174.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -139.9 133.11 29.75 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 123.537 0.523 . . . . 43.060000000000002 110.521 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.19 -157.65 20.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.449 -0.405 . . . . 28.41 112.904 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -117.62 140.71 49.28 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.604 -0.887 . . . . 36.859999999999999 108.604 171.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.46 112.19 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 107.191 -1.411 . . . . 25.140000000000001 107.191 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . 0.843 ' HB2' ' HG2' ' A' ' 47' ' ' LYS . 57.6 tt0 -85.48 -38.07 19.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 119.636 -0.826 . . . . 46.450000000000003 109.203 175.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 t -164.12 160.75 21.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.415 -0.587 . . . . 28.879999999999999 109.415 -172.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.48 151.62 26.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.627 0.251 . . . . 24.280000000000001 110.627 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.86 -149.69 0.32 Allowed 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.337 -0.392 . . . . 21.940000000000001 110.199 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -71.04 -43.93 66.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.634 -0.826 . . . . 26.600000000000001 111.011 -172.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.45 -12.85 12.28 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.821 1.415 . . . . 25.5 114.821 -172.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.7 m -133.88 160.05 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 C-N-CA 119.802 -0.759 . . . . 21.16 112.385 -175.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.6 mt -123.64 138.99 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 107.307 -1.368 . . . . 22.27 107.307 170.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 52' ' ' GLN . 16.9 tp -101.37 113.59 26.81 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.874 0.369 . . . . 31.52 110.549 175.029 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.5 121.47 44.01 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.907 -0.405 . . . . 28.0 109.907 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . 0.843 ' HG2' ' HB2' ' A' ' 37' ' ' GLU . 7.0 ptpt -100.39 144.35 29.5 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 111.968 0.359 . . . . 39.950000000000003 111.968 -176.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -158.78 -83.25 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.416 -0.957 . . . . 53.009999999999998 108.416 146.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -72.14 -56.85 4.88 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 122.011 -0.431 . . . . 54.619999999999997 110.855 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.83 160.72 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 109.411 -0.589 . . . . 46.539999999999999 109.411 161.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -84.12 111.65 19.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.918 -0.583 . . . . 35.439999999999998 109.856 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' O ' HD12 ' A' ' 45' ' ' LEU . 13.3 pt20 -102.86 147.68 26.59 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.809 -0.632 . . . . 36.0 112.346 -179.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 ttp -97.77 113.29 25.04 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 114.751 -1.113 . . . . 23.75 110.625 -177.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.76 127.95 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 115.528 -0.76 . . . . 20.52 109.471 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -79.1 127.51 32.1 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 123.76 0.663 . . . . 19.829999999999998 111.005 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.93 -32.74 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.387 0.514 . . . . 18.859999999999999 112.387 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HIS . . . . . 0.612 ' HB3' H5'' ' A' ' 103' ' ' ' U' . 9.4 p80 -64.69 -18.26 64.83 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.163 -0.615 . . . . 19.379999999999999 110.168 -178.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.56 -7.47 47.08 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.879 0.696 . . . . 18.600000000000001 112.879 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.98 135.07 26.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 N-CA-C 112.316 0.487 . . . . 20.190000000000001 112.316 -177.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -88.98 -60.59 1.91 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.321 0.581 . . . . 28.559999999999999 112.499 170.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.4 p -142.78 141.41 31.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.566 -0.743 . . . . 27.620000000000001 111.342 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.12 120.18 51.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 121.477 0.656 . . . . 23.629999999999999 110.46 169.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.7 t -120.2 110.58 36.01 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.821 -0.627 . . . . 26.370000000000001 110.939 -173.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -74.01 154.77 47.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 O-C-N 122.587 0.783 . . . . 31.280000000000001 111.854 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -77.49 -14.47 59.67 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.901 -0.32 . . . . 33.840000000000003 110.597 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' NH1' HG22 ' A' ' 20' ' ' VAL . 1.7 ptp180 -138.25 152.74 72.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 C-N-CA 124.013 0.925 . . . . 37.0 109.158 -177.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 25.0 Cg_exo -63.4 147.39 93.48 Favored 'Trans proline' 0 CA--C 1.508 -0.819 0 N-CA-C 110.101 -0.769 . . . . 34.020000000000003 110.101 175.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 m -135.26 150.76 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 N-CA-C 107.863 -1.162 . . . . 36.82 107.863 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -126.15 139.95 52.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.754 -0.657 . . . . 62.810000000000002 111.957 -173.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.447 -0.608 0 CA-C-N 115.919 -0.582 . . . . 39.560000000000002 111.925 -172.863 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' U' . . . . . 0.612 H5'' ' HB3' ' A' ' 57' ' ' HIS . . . . . . . . 0 O5'--C5' 1.417 -1.422 0 O5'-C5'-C4' 113.014 2.01 . 0.0 '__' . 51.600000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 110.012 -1.235 . . . . 42.200000000000003 110.012 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 22.92 56.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.381 1.472 . . . . 51.359999999999999 114.404 -178.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -100.07 146.81 26.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.385 -0.968 . . . . 40.399999999999999 108.385 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 tp -120.45 -31.8 4.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.618 -0.719 . . . . 31.010000000000002 109.594 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.91 -42.26 99.73 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 113.696 0.998 . . . . 26.23 113.696 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.563 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 98.3 m-20 -65.78 -54.06 31.41 Favored Pre-proline 0 CA--C 1.514 -0.422 0 CA-C-O 119.34 -0.362 . . . . 42.960000000000001 111.157 179.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 9' ' ' ASP . 74.5 Cg_exo -54.59 -40.79 82.35 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 116.777 -1.682 . . . . 25.23 113.588 176.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -61.9 -56.49 18.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.52 0.563 . . . . 29.57 112.52 -178.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.75 -33.8 76.47 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.845 0.683 . . . . 22.390000000000001 112.845 -178.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -68.45 -32.74 72.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.058 0.762 . . . . 34.630000000000003 113.058 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.0 m -67.72 -49.59 61.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.333 -0.849 . . . . 29.32 111.055 175.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.63 -38.74 75.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 26.100000000000001 112.02 176.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -68.43 -51.24 45.97 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.839 -0.619 . . . . 30.109999999999999 111.349 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -60.88 -40.89 94.7 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.85 0.685 . . . . 40.07 112.85 -177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -93.26 6.42 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.757 -0.377 . . . . 33.210000000000001 111.92 -175.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 54.19 36.66 25.5 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 115.774 -0.648 . . . . 50.299999999999997 110.54 175.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG22 ' NH1' ' A' ' 66' ' ' ARG . 17.6 t -74.69 128.02 86.21 Favored Pre-proline 0 C--N 1.322 -0.608 0 C-N-CA 119.249 -0.98 . . . . 30.120000000000001 109.295 -175.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -60.03 133.54 50.93 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.319 1.346 . . . . 29.93 110.782 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.23 158.12 41.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 112.446 0.536 . . . . 26.370000000000001 112.446 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.7 m -106.06 125.94 51.6 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 107.055 -1.461 . . . . 28.359999999999999 107.055 165.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 64.9 mt -107.24 113.94 44.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 N-CA-C 107.494 -1.298 . . . . 23.940000000000001 107.494 171.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -89.96 127.77 36.1 Favored 'General case' 0 CA--C 1.506 -0.746 0 N-CA-C 107.866 -1.161 . . . . 35.799999999999997 107.866 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.73 164.42 12.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.674 -0.811 . . . . 24.059999999999999 111.544 -177.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 m -72.25 -4.98 5.48 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-N 115.917 -0.583 . . . . 31.170000000000002 111.81 -173.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -103.16 8.62 38.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 30.77 111.645 176.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.27 -8.54 78.26 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.978 -0.63 . . . . 27.379999999999999 113.641 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 9.9 mt -71.3 129.46 35.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 119.607 -0.837 . . . . 33.530000000000001 111.449 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -101.86 120.44 40.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.808 -0.633 . . . . 37.520000000000003 110.525 174.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -100.94 159.07 15.51 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 108.957 -0.756 . . . . 31.379999999999999 108.957 174.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -139.9 133.11 29.75 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 123.537 0.523 . . . . 43.060000000000002 110.521 177.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.19 -157.65 20.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.449 -0.405 . . . . 28.41 112.904 177.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -117.62 140.71 49.28 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 108.604 -0.887 . . . . 36.859999999999999 108.604 171.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.46 112.19 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 107.191 -1.411 . . . . 25.140000000000001 107.191 173.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.843 ' HB2' ' HG2' ' A' ' 47' ' ' LYS . 57.6 tt0 -85.48 -38.07 19.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 119.636 -0.826 . . . . 46.450000000000003 109.203 175.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 t -164.12 160.75 21.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 109.415 -0.587 . . . . 28.879999999999999 109.415 -172.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -156.48 151.62 26.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.627 0.251 . . . . 24.280000000000001 110.627 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.86 -149.69 0.32 Allowed 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.337 -0.392 . . . . 21.940000000000001 110.199 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -71.04 -43.93 66.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 119.634 -0.826 . . . . 26.600000000000001 111.011 -172.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.45 -12.85 12.28 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 114.821 1.415 . . . . 25.5 114.821 -172.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.7 m -133.88 160.05 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.55 0 C-N-CA 119.802 -0.759 . . . . 21.16 112.385 -175.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 86.6 mt -123.64 138.99 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 107.307 -1.368 . . . . 22.27 107.307 170.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 52' ' ' GLN . 16.9 tp -101.37 113.59 26.81 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.874 0.369 . . . . 31.52 110.549 175.029 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 20.1 tp -105.5 121.47 44.01 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 109.907 -0.405 . . . . 28.0 109.907 -175.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.843 ' HG2' ' HB2' ' A' ' 37' ' ' GLU . 7.0 ptpt -100.39 144.35 29.5 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 111.968 0.359 . . . . 39.950000000000003 111.968 -176.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -158.78 -83.25 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 108.416 -0.957 . . . . 53.009999999999998 108.416 146.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.4 m -72.14 -56.85 4.88 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 122.011 -0.431 . . . . 54.619999999999997 110.855 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.83 160.72 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 109.411 -0.589 . . . . 46.539999999999999 109.411 161.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.6 m -84.12 111.65 19.52 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.918 -0.583 . . . . 35.439999999999998 109.856 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' O ' HD12 ' A' ' 45' ' ' LEU . 13.3 pt20 -102.86 147.68 26.59 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 115.809 -0.632 . . . . 36.0 112.346 -179.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 62.2 ttp -97.77 113.29 25.04 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 114.751 -1.113 . . . . 23.75 110.625 -177.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.76 127.95 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 CA-C-N 115.528 -0.76 . . . . 20.52 109.471 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -79.1 127.51 32.1 Favored 'General case' 0 C--O 1.22 -0.45 0 O-C-N 123.76 0.663 . . . . 19.829999999999998 111.005 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -58.93 -32.74 69.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.387 0.514 . . . . 18.859999999999999 112.387 -178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.612 ' HB3' H5'' ' A' ' 103' ' ' ' U' . 9.4 p80 -64.69 -18.26 64.83 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 120.163 -0.615 . . . . 19.379999999999999 110.168 -178.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.56 -7.47 47.08 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.879 0.696 . . . . 18.600000000000001 112.879 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 62.5 mt -88.98 135.07 26.71 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 N-CA-C 112.316 0.487 . . . . 20.190000000000001 112.316 -177.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.6 m -88.98 -60.59 1.91 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.321 0.581 . . . . 28.559999999999999 112.499 170.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 68.4 p -142.78 141.41 31.69 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.566 -0.743 . . . . 27.620000000000001 111.342 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.12 120.18 51.46 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.722 0 CA-C-O 121.477 0.656 . . . . 23.629999999999999 110.46 169.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.7 t -120.2 110.58 36.01 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.821 -0.627 . . . . 26.370000000000001 110.939 -173.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -74.01 154.77 47.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 O-C-N 122.587 0.783 . . . . 31.280000000000001 111.854 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -77.49 -14.47 59.67 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 120.901 -0.32 . . . . 33.840000000000003 110.597 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' NH1' HG22 ' A' ' 20' ' ' VAL . 1.7 ptp180 -138.25 152.74 72.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 C-N-CA 124.013 0.925 . . . . 37.0 109.158 -177.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 25.0 Cg_exo -63.4 147.39 93.48 Favored 'Trans proline' 0 CA--C 1.508 -0.819 0 N-CA-C 110.101 -0.769 . . . . 34.020000000000003 110.101 175.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.5 m -135.26 150.76 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.12 0 N-CA-C 107.863 -1.162 . . . . 36.82 107.863 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -126.15 139.95 52.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.754 -0.657 . . . . 62.810000000000002 111.957 -173.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.447 -0.608 0 CA-C-N 115.919 -0.582 . . . . 39.560000000000002 111.925 -172.863 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' U' . . . . . 0.612 H5'' ' HB3' ' A' ' 57' ' ' HIS . . . . . . . . 0 O5'--C5' 1.417 -1.422 0 O5'-C5'-C4' 113.014 2.01 . 0.0 '__' . 51.600000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_