data_1hoe_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 1hoe _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 ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 N-CA-C 115.456 1.65 . . . . 60.3 115.456 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m -120.27 126.39 50.46 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.788 -1.096 . . . . 49.8 112.902 -171.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -117.09 49.81 1.15 Allowed 'General case' 0 C--O 1.258 1.535 0 CA-C-O 124.101 1.905 . . . . 36.63 111.275 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.99 -25.54 17.08 Favored 'Isoleucine or valine' 0 C--O 1.262 1.713 0 CA-C-N 113.332 -1.758 . . . . 45.59 113.644 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -90.82 133.54 35.13 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 116.595 -1.669 . . . . 26.79 111.854 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.44 121.96 75.58 Favored Pre-proline 0 C--O 1.258 1.509 0 O-C-N 127.368 2.917 . . . . 21.88 109.105 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -59.09 150.62 72.15 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.087 2.525 . . . . 20.75 107.645 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.35 159.89 78.9 Favored Pre-proline 0 C--O 1.249 1.039 0 O-C-N 126.825 2.578 . . . . 24.03 107.43 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -59.86 138.24 81.38 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 123.319 2.679 . . . . 17.27 112.997 177.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -51.11 -25.51 5.23 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 115.71 1.744 . . . . 55.2 115.71 -173.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -76.81 1.09 18.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 113.697 0.999 . . . . 21.57 113.697 179.569 43.371 81.04 96.451 107.714 2.028 106.669 -60.333 -53.265 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 t -102.93 115.68 45.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.488 -0.93 . . . . 21.34 108.488 167.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.5 p -100.6 150.12 23.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.278 0.561 . . . . 18.68 110.752 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.0 125.51 51.62 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.019 -1.901 . . . . 25.17 109.766 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -120.98 131.48 54.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.872 -1.158 . . . . 30.15 107.872 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -132.71 122.91 25.3 Favored 'General case' 0 C--O 1.259 1.583 0 C-N-CA 120.012 -0.675 . . . . 20.76 112.609 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -108.91 -172.07 1.98 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 117.239 -1.362 . . . . 15.01 107.645 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.67 -30.38 71.4 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 120.174 1.352 . . . . 16.01 109.18 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -108.11 -24.23 11.65 Favored 'General case' 0 C--O 1.254 1.299 0 O-C-N 127.368 2.918 . . . . 29.47 117.022 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -123.83 152.35 42.38 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.351 1.657 . . . . 21.49 110.444 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 m -113.5 120.18 40.13 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 126.557 1.943 . . . . 15.68 107.104 153.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -116.71 144.56 44.28 Favored 'General case' 0 C--O 1.259 1.555 0 O-C-N 124.638 1.211 . . . . 23.98 113.096 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 125.82 53.49 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 125.635 1.834 . . . . 14.12 110.639 171.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.95 111.75 20.85 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-O 122.005 0.907 . . . . 37.4 111.523 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -89.87 103.88 16.5 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 112.367 -2.197 . . . . 19.0 111.742 -173.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.26 17.7 47.06 Favored Glycine 0 CA--C 1.544 1.866 0 O-C-N 125.083 1.489 . . . . 13.9 113.637 174.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.9 m -90.48 174.55 7.48 Favored 'General case' 0 C--O 1.259 1.595 0 C-N-CA 123.65 0.78 . . . . 11.9 110.41 175.928 -53.265 -60.333 96.451 106.669 2.028 107.714 81.04 43.371 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.38 -9.19 55.43 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 114.634 -1.166 . . . . 22.88 110.752 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -125.87 163.49 22.83 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 124.468 1.105 . . . . 53.89 111.083 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -68.27 130.08 41.85 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 107.68 -1.23 . . . . 27.59 107.68 169.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.7 m -109.54 152.86 11.47 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 124.398 1.061 . . . . 30.51 110.142 171.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.3 m -113.2 108.46 17.3 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 121.777 0.798 . . . . 14.54 112.41 173.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.9 m -117.79 160.11 17.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 O-C-N 120.695 -1.253 . . . . 11.61 113.696 -167.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -141.19 149.08 40.96 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 112.905 -1.952 . . . . 33.26 110.573 167.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -82.0 136.61 22.66 Favored 'Isoleucine or valine' 0 C--O 1.249 1.053 0 O-C-N 126.313 2.258 . . . . 18.59 108.361 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.9 t -107.76 117.18 52.89 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 O-C-N 125.323 1.639 . . . . 18.13 109.352 166.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.43 168.05 13.46 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 125.101 1.5 . . . . 19.59 111.874 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -50.19 -40.6 47.48 Favored 'General case' 0 C--O 1.263 1.785 0 O-C-N 125.852 1.97 . . . . 62.28 113.328 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -79.2 18.73 0.63 Allowed 'General case' 0 C--O 1.259 1.575 0 N-CA-C 114.842 1.423 . . . . 28.91 114.842 -176.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.528 0.0 OUTLIER 38.18 33.29 0.06 Allowed 'General case' 0 C--O 1.262 1.713 0 CA-C-N 112.268 -2.242 . . . . 34.23 117.023 -162.875 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.3 p -85.28 162.9 18.93 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 124.233 0.958 . . . . 27.95 111.841 160.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -127.97 154.92 45.04 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 123.757 0.661 . . . . 42.41 111.677 -177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.06 -172.52 47.23 Favored Glycine 0 C--O 1.262 1.883 0 O-C-N 125.088 1.493 . . . . 21.84 110.899 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -72.16 167.53 20.1 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 125.955 1.621 . . . . 20.34 110.156 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.57 136.77 35.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 112.925 0.713 . . . . 18.3 112.925 173.495 -64.197 -88.643 -93.6 106.344 1.997 104.859 -144.147 -60.86 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -124.39 139.89 53.47 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.691 -1.596 . . . . 26.37 106.691 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.63 124.64 34.75 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.186 -1.806 . . . . 21.37 112.0 167.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.52 108.35 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 127.239 2.216 . . . . 15.15 113.3 -175.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 149.71 96.45 Favored Pre-proline 0 C--N 1.313 -0.998 0 C-N-CA 126.677 1.991 . . . . 27.28 111.746 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -58.99 138.81 87.81 Favored 'Trans proline' 0 C--O 1.27 2.08 0 C-N-CA 121.413 1.409 . . . . 22.01 109.829 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.58 12.31 84.5 Favored Glycine 0 CA--C 1.545 1.913 0 O-C-N 125.79 1.931 . . . . 13.15 112.091 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 139.33 49.99 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.25 . . . . 54.03 112.839 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.4 tt -109.16 124.61 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 105.902 -1.888 . . . . 27.24 105.902 173.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.9 m -132.23 140.24 48.6 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 114.158 -1.383 . . . . 32.3 113.018 -173.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -78.32 120.39 23.02 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 107.268 -1.382 . . . . 16.55 107.268 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.9 m -120.31 3.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 112.446 0.535 . . . . 17.01 112.446 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.29 -171.72 33.66 Favored Glycine 0 C--O 1.26 1.78 0 C-N-CA 120.138 -1.03 . . . . 20.59 113.561 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -77.22 153.7 33.79 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.417 2.287 . . . . 18.58 112.21 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.63 170.08 52.94 Favored Glycine 0 C--O 1.264 2.018 0 CA-C-N 115.083 -0.962 . . . . 8.9 111.941 169.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -74.95 2.99 9.07 Favored 'General case' 0 C--O 1.267 2.024 0 N-CA-C 116.222 1.934 . . . . 24.59 116.222 -170.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -76.09 -18.24 15.31 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 CA-C-N 113.951 -1.477 . . . . 31.06 111.505 171.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.8 159.86 53.9 Favored Glycine 0 C--O 1.268 2.249 0 CA-C-N 114.982 -1.008 . . . . 34.9 115.491 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -71.43 -14.57 62.2 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 112.608 -1.796 . . . . 45.89 113.552 -177.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -81.85 -12.29 58.55 Favored 'General case' 0 C--O 1.258 1.529 0 O-C-N 124.478 1.111 . . . . 41.42 112.611 170.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.79 -146.6 31.28 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 114.069 -1.423 . . . . 22.05 113.03 170.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -77.34 138.11 39.14 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 125.42 1.488 . . . . 49.71 113.263 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.29 125.58 30.06 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.422 -1.325 . . . . 19.52 107.422 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.9 mtm-85 -75.21 -57.2 4.04 Favored 'General case' 0 C--O 1.257 1.495 0 O-C-N 125.952 2.033 . . . . 52.24 113.563 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -158.64 170.94 21.03 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 108.605 -0.887 . . . . 27.01 108.605 -177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 mt -96.18 127.35 42.11 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.657 1.223 . . . . 19.18 110.48 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.82 157.89 16.16 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 124.215 0.947 . . . . 25.97 109.105 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -76.66 139.83 40.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 125.853 1.661 . . . . 37.85 111.784 165.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 77.7 m -101.2 132.23 46.79 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.426 -2.046 . . . . 33.49 111.792 165.555 -60.86 -144.147 -93.6 104.859 1.997 106.344 -88.643 -64.197 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.262 1.758 0 C-N-CA 126.232 1.813 . . . . 50.69 111.419 -175.597 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 N-CA-C 115.456 1.65 . . . . 60.3 115.456 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . 0.487 HG22 HG23 ' A' ' 4' ' ' VAL . 1.3 m -120.27 126.39 50.46 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.788 -1.096 . . . . 49.8 112.902 -171.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -117.09 49.81 1.15 Allowed 'General case' 0 C--O 1.258 1.535 0 CA-C-O 124.101 1.905 . . . . 36.63 111.275 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG23 HG22 ' A' ' 2' ' ' THR . 40.9 t -75.99 -25.54 17.08 Favored 'Isoleucine or valine' 0 C--O 1.262 1.713 0 CA-C-N 113.332 -1.758 . . . . 45.59 113.644 176.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -90.82 133.54 35.13 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 116.595 -1.669 . . . . 26.79 111.854 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.44 121.96 75.58 Favored Pre-proline 0 C--O 1.258 1.509 0 O-C-N 127.368 2.917 . . . . 21.88 109.105 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -59.09 150.62 72.15 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.087 2.525 . . . . 20.75 107.645 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.35 159.89 78.9 Favored Pre-proline 0 C--O 1.249 1.039 0 O-C-N 126.825 2.578 . . . . 24.03 107.43 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -59.86 138.24 81.38 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 123.319 2.679 . . . . 17.27 112.997 177.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -51.11 -25.51 5.23 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 115.71 1.744 . . . . 55.2 115.71 -173.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -76.81 1.09 18.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 113.697 0.999 . . . . 21.57 113.697 179.569 43.371 81.04 96.451 107.714 2.028 106.669 -60.333 -53.265 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 31' ' ' VAL . 28.5 t -102.93 115.68 45.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.488 -0.93 . . . . 21.34 108.488 167.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.5 p -100.6 150.12 23.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.278 0.561 . . . . 18.68 110.752 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.0 125.51 51.62 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.019 -1.901 . . . . 25.17 109.766 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -120.98 131.48 54.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.872 -1.158 . . . . 30.15 107.872 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -132.71 122.91 25.3 Favored 'General case' 0 C--O 1.259 1.583 0 C-N-CA 120.012 -0.675 . . . . 20.76 112.609 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -108.91 -172.07 1.98 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 117.239 -1.362 . . . . 15.01 107.645 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.67 -30.38 71.4 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 120.174 1.352 . . . . 16.01 109.18 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -108.11 -24.23 11.65 Favored 'General case' 0 C--O 1.254 1.299 0 O-C-N 127.368 2.918 . . . . 29.47 117.022 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -123.83 152.35 42.38 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.351 1.657 . . . . 21.49 110.444 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 m -113.5 120.18 40.13 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 126.557 1.943 . . . . 15.68 107.104 153.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -116.71 144.56 44.28 Favored 'General case' 0 C--O 1.259 1.555 0 O-C-N 124.638 1.211 . . . . 23.98 113.096 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 125.82 53.49 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 125.635 1.834 . . . . 14.12 110.639 171.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.95 111.75 20.85 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-O 122.005 0.907 . . . . 37.4 111.523 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -89.87 103.88 16.5 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 112.367 -2.197 . . . . 19.0 111.742 -173.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.26 17.7 47.06 Favored Glycine 0 CA--C 1.544 1.866 0 O-C-N 125.083 1.489 . . . . 13.9 113.637 174.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 50' ' ' PRO . 51.9 m -90.48 174.55 7.48 Favored 'General case' 0 C--O 1.259 1.595 0 C-N-CA 123.65 0.78 . . . . 11.9 110.41 175.928 -53.265 -60.333 96.451 106.669 2.028 107.714 81.04 43.371 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.38 -9.19 55.43 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 114.634 -1.166 . . . . 22.88 110.752 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -125.87 163.49 22.83 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 124.468 1.105 . . . . 53.89 111.083 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -68.27 130.08 41.85 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 107.68 -1.23 . . . . 27.59 107.68 169.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 12' ' ' VAL . 30.7 m -109.54 152.86 11.47 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 124.398 1.061 . . . . 30.51 110.142 171.27 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.3 m -113.2 108.46 17.3 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 121.777 0.798 . . . . 14.54 112.41 173.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.9 m -117.79 160.11 17.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 O-C-N 120.695 -1.253 . . . . 11.61 113.696 -167.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -141.19 149.08 40.96 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 112.905 -1.952 . . . . 33.26 110.573 167.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -82.0 136.61 22.66 Favored 'Isoleucine or valine' 0 C--O 1.249 1.053 0 O-C-N 126.313 2.258 . . . . 18.59 108.361 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . 0.476 HG22 ' HG2' ' A' ' 42' ' ' GLU . 45.9 t -107.76 117.18 52.89 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 O-C-N 125.323 1.639 . . . . 18.13 109.352 166.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.43 168.05 13.46 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 125.101 1.5 . . . . 19.59 111.874 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -50.19 -40.6 47.48 Favored 'General case' 0 C--O 1.263 1.785 0 O-C-N 125.852 1.97 . . . . 62.28 113.328 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -79.2 18.73 0.63 Allowed 'General case' 0 C--O 1.259 1.575 0 N-CA-C 114.842 1.423 . . . . 28.91 114.842 -176.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.528 0.0 OUTLIER 38.18 33.29 0.06 Allowed 'General case' 0 C--O 1.262 1.713 0 CA-C-N 112.268 -2.242 . . . . 34.23 117.023 -162.875 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.3 p -85.28 162.9 18.93 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 124.233 0.958 . . . . 27.95 111.841 160.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG2' HG22 ' A' ' 36' ' ' VAL . 91.9 mt-10 -127.97 154.92 45.04 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 123.757 0.661 . . . . 42.41 111.677 -177.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.06 -172.52 47.23 Favored Glycine 0 C--O 1.262 1.883 0 O-C-N 125.088 1.493 . . . . 21.84 110.899 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -72.16 167.53 20.1 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 125.955 1.621 . . . . 20.34 110.156 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.57 136.77 35.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 112.925 0.713 . . . . 18.3 112.925 173.495 -64.197 -88.643 -93.6 106.344 1.997 104.859 -144.147 -60.86 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -124.39 139.89 53.47 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.691 -1.596 . . . . 26.37 106.691 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.63 124.64 34.75 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.186 -1.806 . . . . 21.37 112.0 167.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.52 108.35 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 127.239 2.216 . . . . 15.15 113.3 -175.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 149.71 96.45 Favored Pre-proline 0 C--N 1.313 -0.998 0 C-N-CA 126.677 1.991 . . . . 27.28 111.746 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 3.8 Cg_exo -58.99 138.81 87.81 Favored 'Trans proline' 0 C--O 1.27 2.08 0 C-N-CA 121.413 1.409 . . . . 22.01 109.829 176.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.58 12.31 84.5 Favored Glycine 0 CA--C 1.545 1.913 0 O-C-N 125.79 1.931 . . . . 13.15 112.091 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 139.33 49.99 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.25 . . . . 54.03 112.839 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.4 tt -109.16 124.61 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 105.902 -1.888 . . . . 27.24 105.902 173.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.9 m -132.23 140.24 48.6 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 114.158 -1.383 . . . . 32.3 113.018 -173.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -78.32 120.39 23.02 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 107.268 -1.382 . . . . 16.55 107.268 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.9 m -120.31 3.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 112.446 0.535 . . . . 17.01 112.446 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.29 -171.72 33.66 Favored Glycine 0 C--O 1.26 1.78 0 C-N-CA 120.138 -1.03 . . . . 20.59 113.561 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -77.22 153.7 33.79 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.417 2.287 . . . . 18.58 112.21 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.63 170.08 52.94 Favored Glycine 0 C--O 1.264 2.018 0 CA-C-N 115.083 -0.962 . . . . 8.9 111.941 169.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -74.95 2.99 9.07 Favored 'General case' 0 C--O 1.267 2.024 0 N-CA-C 116.222 1.934 . . . . 24.59 116.222 -170.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -76.09 -18.24 15.31 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 CA-C-N 113.951 -1.477 . . . . 31.06 111.505 171.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.8 159.86 53.9 Favored Glycine 0 C--O 1.268 2.249 0 CA-C-N 114.982 -1.008 . . . . 34.9 115.491 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -71.43 -14.57 62.2 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 112.608 -1.796 . . . . 45.89 113.552 -177.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -81.85 -12.29 58.55 Favored 'General case' 0 C--O 1.258 1.529 0 O-C-N 124.478 1.111 . . . . 41.42 112.611 170.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.79 -146.6 31.28 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 114.069 -1.423 . . . . 22.05 113.03 170.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -77.34 138.11 39.14 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 125.42 1.488 . . . . 49.71 113.263 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.29 125.58 30.06 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.422 -1.325 . . . . 19.52 107.422 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.9 mtm-85 -75.21 -57.2 4.04 Favored 'General case' 0 C--O 1.257 1.495 0 O-C-N 125.952 2.033 . . . . 52.24 113.563 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -158.64 170.94 21.03 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 108.605 -0.887 . . . . 27.01 108.605 -177.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 mt -96.18 127.35 42.11 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.657 1.223 . . . . 19.18 110.48 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.82 157.89 16.16 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 124.215 0.947 . . . . 25.97 109.105 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -76.66 139.83 40.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 125.853 1.661 . . . . 37.85 111.784 165.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 77.7 m -101.2 132.23 46.79 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.426 -2.046 . . . . 33.49 111.792 165.555 -60.86 -144.147 -93.6 104.859 1.997 106.344 -88.643 -64.197 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.262 1.758 0 C-N-CA 126.232 1.813 . . . . 50.69 111.419 -175.597 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.33 0 N-CA-C 115.456 1.65 . . . . 60.3 115.456 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . 0.487 HG22 HG23 ' A' ' 4' ' ' VAL . 1.3 m -120.27 126.39 50.46 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-N 114.788 -1.096 . . . . 49.8 112.902 -171.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -117.09 49.81 1.15 Allowed 'General case' 0 C--O 1.258 1.535 0 CA-C-O 124.101 1.905 . . . . 36.63 111.275 -178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG23 HG22 ' A' ' 2' ' ' THR . 40.9 t -75.99 -25.54 17.08 Favored 'Isoleucine or valine' 0 C--O 1.262 1.713 0 CA-C-N 113.332 -1.758 . . . . 45.59 113.644 176.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -90.82 133.54 35.13 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 116.595 -1.669 . . . . 26.79 111.854 178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.44 121.96 75.58 Favored Pre-proline 0 C--O 1.258 1.509 0 O-C-N 127.368 2.917 . . . . 21.88 109.105 -171.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -59.09 150.62 72.15 Favored 'Trans proline' 0 C--O 1.259 1.542 0 C-N-CA 123.087 2.525 . . . . 20.75 107.645 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.35 159.89 78.9 Favored Pre-proline 0 C--O 1.249 1.039 0 O-C-N 126.825 2.578 . . . . 24.03 107.43 174.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -59.86 138.24 81.38 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 123.319 2.679 . . . . 17.27 112.997 177.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -51.11 -25.51 5.23 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 115.71 1.744 . . . . 55.2 115.71 -173.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -76.81 1.09 18.38 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 113.697 0.999 . . . . 21.57 113.697 179.569 43.371 81.04 96.451 107.714 2.028 106.669 -60.333 -53.265 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 31' ' ' VAL . 28.5 t -102.93 115.68 45.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.488 -0.93 . . . . 21.34 108.488 167.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.5 p -100.6 150.12 23.04 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.278 0.561 . . . . 18.68 110.752 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 tp -108.0 125.51 51.62 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.019 -1.901 . . . . 25.17 109.766 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -120.98 131.48 54.33 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 107.872 -1.158 . . . . 30.15 107.872 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -132.71 122.91 25.3 Favored 'General case' 0 C--O 1.259 1.583 0 C-N-CA 120.012 -0.675 . . . . 20.76 112.609 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -108.91 -172.07 1.98 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-O 117.239 -1.362 . . . . 15.01 107.645 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 61.1 p-90 -64.67 -30.38 71.4 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 120.174 1.352 . . . . 16.01 109.18 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -108.11 -24.23 11.65 Favored 'General case' 0 C--O 1.254 1.299 0 O-C-N 127.368 2.918 . . . . 29.47 117.022 -173.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -123.83 152.35 42.38 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 125.351 1.657 . . . . 21.49 110.444 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.5 m -113.5 120.18 40.13 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 126.557 1.943 . . . . 15.68 107.104 153.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -116.71 144.56 44.28 Favored 'General case' 0 C--O 1.259 1.555 0 O-C-N 124.638 1.211 . . . . 23.98 113.096 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -110.22 125.82 53.49 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 125.635 1.834 . . . . 14.12 110.639 171.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.95 111.75 20.85 Favored 'General case' 0 C--N 1.281 -2.384 0 CA-C-O 122.005 0.907 . . . . 37.4 111.523 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -89.87 103.88 16.5 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 112.367 -2.197 . . . . 19.0 111.742 -173.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.26 17.7 47.06 Favored Glycine 0 CA--C 1.544 1.866 0 O-C-N 125.083 1.489 . . . . 13.9 113.637 174.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 50' ' ' PRO . 51.9 m -90.48 174.55 7.48 Favored 'General case' 0 C--O 1.259 1.595 0 C-N-CA 123.65 0.78 . . . . 11.9 110.41 175.928 -53.265 -60.333 96.451 106.669 2.028 107.714 81.04 43.371 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.38 -9.19 55.43 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 114.634 -1.166 . . . . 22.88 110.752 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -125.87 163.49 22.83 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 124.468 1.105 . . . . 53.89 111.083 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.6 m -68.27 130.08 41.85 Favored 'General case' 0 C--O 1.259 1.569 0 N-CA-C 107.68 -1.23 . . . . 27.59 107.68 169.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 12' ' ' VAL . 30.7 m -109.54 152.86 11.47 Favored 'Isoleucine or valine' 0 C--O 1.251 1.171 0 O-C-N 124.398 1.061 . . . . 30.51 110.142 171.27 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.3 m -113.2 108.46 17.3 Favored 'General case' 0 C--O 1.265 1.885 0 CA-C-O 121.777 0.798 . . . . 14.54 112.41 173.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.9 m -117.79 160.11 17.6 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.854 0 O-C-N 120.695 -1.253 . . . . 11.61 113.696 -167.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 pttt -141.19 149.08 40.96 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 112.905 -1.952 . . . . 33.26 110.573 167.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.8 t -82.0 136.61 22.66 Favored 'Isoleucine or valine' 0 C--O 1.249 1.053 0 O-C-N 126.313 2.258 . . . . 18.59 108.361 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.476 HG22 ' HG2' ' A' ' 42' ' ' GLU . 45.9 t -107.76 117.18 52.89 Favored 'Isoleucine or valine' 0 C--O 1.256 1.441 0 O-C-N 125.323 1.639 . . . . 18.13 109.352 166.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -87.43 168.05 13.46 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 125.101 1.5 . . . . 19.59 111.874 -174.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -50.19 -40.6 47.48 Favored 'General case' 0 C--O 1.263 1.785 0 O-C-N 125.852 1.97 . . . . 62.28 113.328 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -79.2 18.73 0.63 Allowed 'General case' 0 C--O 1.259 1.575 0 N-CA-C 114.842 1.423 . . . . 28.91 114.842 -176.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . 0.528 0.0 OUTLIER 38.18 33.29 0.06 Allowed 'General case' 0 C--O 1.262 1.713 0 CA-C-N 112.268 -2.242 . . . . 34.23 117.023 -162.875 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.3 p -85.28 162.9 18.93 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 124.233 0.958 . . . . 27.95 111.841 160.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG2' HG22 ' A' ' 36' ' ' VAL . 91.9 mt-10 -127.97 154.92 45.04 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 123.757 0.661 . . . . 42.41 111.677 -177.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -88.06 -172.52 47.23 Favored Glycine 0 C--O 1.262 1.883 0 O-C-N 125.088 1.493 . . . . 21.84 110.899 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.2 mt -72.16 167.53 20.1 Favored 'General case' 0 C--O 1.252 1.222 0 O-C-N 125.955 1.621 . . . . 20.34 110.156 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 82.5 m -95.57 136.77 35.53 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 112.925 0.713 . . . . 18.3 112.925 173.495 -64.197 -88.643 -93.6 106.344 1.997 104.859 -144.147 -60.86 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -124.39 139.89 53.47 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.691 -1.596 . . . . 26.37 106.691 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.63 124.64 34.75 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 117.186 -1.806 . . . . 21.37 112.0 167.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.52 108.35 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 127.239 2.216 . . . . 15.15 113.3 -175.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.09 149.71 96.45 Favored Pre-proline 0 C--N 1.313 -0.998 0 C-N-CA 126.677 1.991 . . . . 27.28 111.746 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 3.8 Cg_exo -58.99 138.81 87.81 Favored 'Trans proline' 0 C--O 1.27 2.08 0 C-N-CA 121.413 1.409 . . . . 22.01 109.829 176.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.58 12.31 84.5 Favored Glycine 0 CA--C 1.545 1.913 0 O-C-N 125.79 1.931 . . . . 13.15 112.091 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 139.33 49.99 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.076 -1.25 . . . . 54.03 112.839 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.4 tt -109.16 124.61 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 105.902 -1.888 . . . . 27.24 105.902 173.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.9 m -132.23 140.24 48.6 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 114.158 -1.383 . . . . 32.3 113.018 -173.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 96.7 m -78.32 120.39 23.02 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 107.268 -1.382 . . . . 16.55 107.268 175.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.9 m -120.31 3.13 6.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 112.446 0.535 . . . . 17.01 112.446 -176.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.29 -171.72 33.66 Favored Glycine 0 C--O 1.26 1.78 0 C-N-CA 120.138 -1.03 . . . . 20.59 113.561 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -77.22 153.7 33.79 Favored 'General case' 0 C--O 1.262 1.745 0 C-N-CA 127.417 2.287 . . . . 18.58 112.21 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -80.63 170.08 52.94 Favored Glycine 0 C--O 1.264 2.018 0 CA-C-N 115.083 -0.962 . . . . 8.9 111.941 169.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -74.95 2.99 9.07 Favored 'General case' 0 C--O 1.267 2.024 0 N-CA-C 116.222 1.934 . . . . 24.59 116.222 -170.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -76.09 -18.24 15.31 Favored 'Isoleucine or valine' 0 C--O 1.257 1.451 0 CA-C-N 113.951 -1.477 . . . . 31.06 111.505 171.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.8 159.86 53.9 Favored Glycine 0 C--O 1.268 2.249 0 CA-C-N 114.982 -1.008 . . . . 34.9 115.491 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -71.43 -14.57 62.2 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-N 112.608 -1.796 . . . . 45.89 113.552 -177.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -81.85 -12.29 58.55 Favored 'General case' 0 C--O 1.258 1.529 0 O-C-N 124.478 1.111 . . . . 41.42 112.611 170.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.79 -146.6 31.28 Favored Glycine 0 C--O 1.253 1.321 0 CA-C-N 114.069 -1.423 . . . . 22.05 113.03 170.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -77.34 138.11 39.14 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 125.42 1.488 . . . . 49.71 113.263 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.29 125.58 30.06 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 107.422 -1.325 . . . . 19.52 107.422 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.9 mtm-85 -75.21 -57.2 4.04 Favored 'General case' 0 C--O 1.257 1.495 0 O-C-N 125.952 2.033 . . . . 52.24 113.563 178.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -158.64 170.94 21.03 Favored 'General case' 0 C--O 1.262 1.759 0 N-CA-C 108.605 -0.887 . . . . 27.01 108.605 -177.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 mt -96.18 127.35 42.11 Favored 'General case' 0 C--N 1.311 -1.085 0 O-C-N 124.657 1.223 . . . . 19.18 110.48 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.82 157.89 16.16 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 124.215 0.947 . . . . 25.97 109.105 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -76.66 139.83 40.71 Favored 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 125.853 1.661 . . . . 37.85 111.784 165.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 77.7 m -101.2 132.23 46.79 Favored 'General case' 0 C--O 1.264 1.842 0 O-C-N 119.426 -2.046 . . . . 33.49 111.792 165.555 -60.86 -144.147 -93.6 104.859 1.997 106.344 -88.643 -64.197 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.262 1.758 0 C-N-CA 126.232 1.813 . . . . 50.69 111.419 -175.597 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_