data_2cdv_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 2cdv _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.517 0 CA-C-O 123.077 1.418 . . . . 47.380000000000003 111.564 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -69.12 168.79 19.7 Favored 'Trans proline' 0 C--O 1.247 0.956 0 N-CA-C 106.799 -2.039 . . . . 46.609999999999999 106.799 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.272 47.1 mtpt -120.88 138.35 54.13 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 126.104 2.127 . . . . 45.950000000000003 108.268 -179.969 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.82 131.27 92.64 Favored Pre-proline 0 N--CA 1.501 2.11 0 N-CA-C 105.108 -2.182 . . . . 35.649999999999999 105.108 172.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -72.59 176.44 8.8 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.911 2.407 . . . . 30.449999999999999 109.24 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.09 150.74 40.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.117 -1.856 . . . . 25.02 112.261 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.76 169.81 0.2 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 112.706 -2.043 . . . . 20.579999999999998 108.368 175.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.83 20.93 69.67 Favored Glycine 0 C--O 1.253 1.288 0 O-C-N 126.988 2.68 . . . . 19.579999999999998 117.369 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.89 138.31 46.15 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 120.436 -1.626 . . . . 20.420000000000002 107.809 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -106.95 126.02 51.77 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.913 0.758 . . . . 28.699999999999999 110.101 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.8 mtp -98.78 105.99 18.2 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 102.454 -3.165 . . . . 12.640000000000001 102.454 173.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -131.91 31.72 4.16 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-O 115.652 -2.118 . . . . 19.300000000000001 115.437 -169.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -70.02 -18.59 63.32 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 124.994 1.434 . . . . 23.350000000000001 112.898 175.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . 0.479 ' OG1' ' O2D' ' A' ' 108' ' ' HEM . 7.7 p -125.53 174.04 8.51 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 126.314 1.846 . . . . 10.470000000000001 110.094 -171.578 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -78.55 -1.68 35.18 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 114.04 -1.437 . . . . 26.75 110.931 -179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -123.18 67.59 34.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 117.88 -1.057 . . . . 25.050000000000001 108.665 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . 0.254 16.2 Cg_endo -67.67 150.44 79.47 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 O-C-N 125.666 2.403 . . . . 11.6 114.655 -172.806 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.44 139.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 126.2 1.8 . . . . 10.359999999999999 110.457 -173.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -95.31 127.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 124.614 1.196 . . . . 10.35 108.746 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -111.27 127.53 55.65 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 125.266 1.604 . . . . 9.8599999999999994 108.255 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -112.42 127.21 55.97 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.868 0.867 . . . . 10.6 109.378 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -73.8 -34.47 64.63 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.693 -1.139 . . . . 11.039999999999999 111.263 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 p -65.1 -25.99 68.02 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 126.869 2.068 . . . . 14.289999999999999 112.366 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.6 p -87.83 -5.06 58.8 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 116.093 1.886 . . . . 12.529999999999999 116.093 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -116.92 25.69 10.34 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 119.296 -2.128 . . . . 11.51 110.349 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -62.05 -26.8 68.47 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 115.88 1.807 . . . . 24.739999999999998 115.88 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.21 -8.17 55.27 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 117.822 -1.085 . . . . 16.920000000000002 111.308 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -105.78 138.94 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.358 0 N-CA-C 102.966 -2.976 . . . . 14.390000000000001 102.966 -173.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.319 0.7 OUTLIER -70.18 138.97 52.25 Favored 'General case' 0 C--N 1.284 -2.261 0 O-C-N 125.885 1.99 . . . . 21.079999999999998 110.496 175.617 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 m -45.32 -47.88 13.18 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 115.462 -0.79 . . . . 12.85 111.924 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.88 -18.65 62.3 Favored Glycine 0 C--N 1.306 -1.09 0 C-N-CA 125.819 1.676 . . . . 9.0099999999999998 116.908 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.34 -30.66 70.53 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 116.409 -1.758 . . . . 15.34 109.06 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.7 m -107.4 -50.25 3.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 126.226 2.204 . . . . 7.1500000000000004 113.197 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -83.94 74.97 10.17 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 127.297 2.873 . . . . 8.9199999999999999 106.666 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -79.82 161.36 66.59 Favored Pre-proline 0 C--O 1.246 0.911 0 CA-C-O 123.968 1.842 . . . . 6.5 111.834 -165.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -63.13 140.57 78.92 Favored 'Trans proline' 0 C--O 1.252 1.204 0 C-N-CA 122.284 1.989 . . . . 7.6500000000000004 107.303 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -139.38 126.31 24.5 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.923 0 N-CA-C 102.213 -3.254 . . . . 11.140000000000001 102.213 169.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 54.8 33.7 20.28 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 125.751 1.907 . . . . 21.0 110.022 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.25 10.08 80.86 Favored Glycine 0 CA--C 1.487 -1.696 0 N-CA-C 118.744 2.258 . . . . 13.67 118.744 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.252 48.5 mttt -139.08 136.79 35.58 Favored 'General case' 0 CA--C 1.554 1.117 0 O-C-N 121.357 -1.084 . . . . 28.289999999999999 108.192 -179.438 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.65 137.37 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 126.527 2.392 . . . . 11.59 106.173 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -115.33 120.69 40.47 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 125.181 1.551 . . . . 11.56 108.736 -173.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -101.28 20.26 16.14 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 127.749 3.155 . . . . 11.0 115.415 -177.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.84 158.03 24.2 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 125.468 1.73 . . . . 14.32 108.95 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -55.93 138.45 48.65 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 105.228 -2.138 . . . . 24.059999999999999 105.228 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -50.48 -37.53 39.13 Favored 'General case' 0 C--O 1.251 1.154 0 O-C-N 127.455 2.972 . . . . 8.5700000000000003 113.233 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.29 13.24 19.87 Favored 'General case' 0 C--O 1.266 1.928 0 O-C-N 125.187 1.554 . . . . 9.8300000000000001 115.093 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -49.15 145.56 4.16 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 117.701 -1.142 . . . . 10.609999999999999 109.006 174.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.6 136.72 50.11 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.884 -1.154 . . . . 11.960000000000001 107.884 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.14 -1.99 88.19 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 116.511 -2.272 . . . . 11.890000000000001 109.767 -179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -101.03 -124.0 0.17 Allowed 'General case' 0 C--O 1.274 2.373 0 O-C-N 125.774 1.514 . . . . 9.4700000000000006 110.824 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 93.6 m-70 -96.39 68.63 2.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.091 -1.818 . . . . 8.0800000000000001 106.091 177.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -103.24 9.14 38.28 Favored 'General case' 0 C--O 1.289 3.149 0 O-C-N 126.491 2.37 . . . . 13.41 114.997 -173.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -92.79 111.22 22.76 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 105.691 -1.966 . . . . 13.83 105.691 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . 0.327 13.5 mmt -88.97 10.11 22.65 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 126.233 2.208 . . . . 12.449999999999999 113.725 -173.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -85.74 106.61 17.12 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 125.013 1.446 . . . . 19.280000000000001 107.447 174.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -59.9 -10.12 3.68 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 125.303 1.627 . . . . 17.940000000000001 114.548 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.274 91.6 mttt -90.93 -13.57 33.26 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.03 1.732 . . . . 28.960000000000001 114.738 179.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -75.1 137.44 41.4 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 106.844 -1.539 . . . . 15.890000000000001 106.844 -174.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 113' ' ' HOH . 51.2 mmtt -113.59 4.74 16.26 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 117.161 -1.4 . . . . 17.079999999999998 110.314 177.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -69.45 168.02 15.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.612 -1.625 . . . . 11.76 106.612 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . 0.434 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -56.59 -28.89 61.35 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 115.114 1.524 . . . . 12.06 115.114 173.923 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -66.36 -27.05 67.58 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.386 -1.293 . . . . 20.800000000000001 114.322 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 122.59 29.01 Favored Glycine 0 C--O 1.274 2.645 0 CA-C-N 119.51 1.05 . . . . 7.7599999999999998 114.616 -178.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -68.88 -48.8 62.5 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.924 -1.339 . . . . 7.7599999999999998 110.275 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -54.78 -49.54 70.65 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.937 0.875 . . . . 13.15 108.681 179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . 0.488 ' NE2' ' O2A' ' A' ' 109' ' ' HEM . 54.0 t60 -51.38 -55.13 20.22 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-N 115.354 -0.839 . . . . 7.4800000000000004 110.806 178.131 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.24 63.51 Favored 'General case' 0 C--O 1.279 2.606 0 N-CA-C 113.177 0.806 . . . . 6.8799999999999999 113.177 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 mmt -91.05 -26.21 19.28 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 118.205 -0.902 . . . . 9.5399999999999991 112.985 -176.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -122.36 -20.31 6.16 Favored 'General case' 0 C--O 1.27 2.136 0 CA-C-O 113.056 -3.354 . . . . 6.3399999999999999 117.368 -168.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . 0.487 ' OD2' ' ND1' ' A' ' 67' ' ' HIS 0.303 92.9 m-20 -81.2 158.36 24.91 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 123.29 2.768 . . . . 10.67 117.697 -170.905 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -101.38 163.37 12.3 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 115.104 -2.379 . . . . 23.609999999999999 106.35 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.66 17.81 78.3 Favored Glycine 0 CA--C 1.525 0.707 0 O-C-N 126.651 2.47 . . . . 7.4299999999999997 113.085 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 p -87.2 157.38 19.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.196 -1.409 . . . . 7.7999999999999998 107.196 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.269 64.9 tttt -57.74 -37.12 73.03 Favored 'General case' 0 C--O 1.271 2.218 0 N-CA-C 114.617 1.34 . . . . 14.890000000000001 114.617 -177.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.27 148.18 39.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 114.173 -2.822 . . . . 8.8599999999999994 104.468 171.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -67.74 135.09 52.16 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.918 2.145 . . . . 9.25 110.94 -179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -79.43 167.8 20.35 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.668 -0.864 . . . . 7.5499999999999998 108.668 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 m -49.69 -62.21 1.69 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.124 -1.806 . . . . 6.7699999999999996 106.124 174.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.16 -45.2 99.28 Favored 'Isoleucine or valine' 0 C--O 1.25 1.103 0 CA-C-N 116.245 -0.434 . . . . 7.8399999999999999 111.164 -174.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.94 -50.57 50.26 Favored Glycine 0 N--CA 1.481 1.637 0 CA-C-O 116.632 -2.204 . . . . 8.0299999999999994 109.073 178.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 29.6 t -68.65 -38.55 80.53 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.668 2.651 . . . . 8.75 111.265 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -64.72 -39.44 93.64 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 112.6 -2.091 . . . . 7.8099999999999996 108.116 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.54 -48.28 77.62 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 126.05 2.094 . . . . 9.9800000000000004 108.918 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.59 -41.32 98.89 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-O 123.509 1.623 . . . . 20.260000000000002 110.082 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.9 m -59.93 -48.68 80.69 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 114.239 1.2 . . . . 14.44 114.239 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.7 69.35 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 118.59 -2.569 . . . . 11.56 112.547 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 57.45 -128.84 48.45 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 107.388 -2.285 . . . . 12.49 107.388 -179.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.26 9.98 39.34 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 115.366 -2.254 . . . . 11.4 111.425 -173.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.12 112.78 21.62 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.215 2.822 . . . . 10.27 108.123 -175.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.65 83.5 Favored 'General case' 0 C--O 1.252 1.211 0 O-C-N 128.423 3.577 . . . . 9.4000000000000004 110.061 -171.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.23 -50.11 74.73 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 126.689 2.493 . . . . 8.4800000000000004 112.295 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 96' ' ' GLU . 57.7 mmtt -63.59 -39.74 95.16 Favored 'General case' 0 CA--C 1.498 -1.022 0 O-C-N 118.829 -2.419 . . . . 12.33 111.401 177.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -54.83 -46.22 74.58 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 117.896 -3.002 . . . . 23.73 109.501 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -58.87 6.47 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 113.428 -1.715 . . . . 21.920000000000002 110.336 179.622 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 93' ' ' LYS . 4.1 tt0 -53.42 -45.35 69.36 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 114.931 1.456 . . . . 21.25 114.931 178.634 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.6 mt -97.89 -21.64 16.78 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 115.981 1.845 . . . . 7.7000000000000002 115.981 -174.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 p -128.07 -2.4 5.79 Favored 'General case' 0 C--O 1.277 2.502 0 N-CA-C 118.553 2.797 . . . . 9.5700000000000003 118.553 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.3 141.46 47.32 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 109.354 -1.498 . . . . 8.5099999999999998 109.354 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -78.74 -24.76 44.62 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 113.681 -1.259 . . . . 12.039999999999999 109.657 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.397 2.2 ttmm -141.01 145.59 36.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 105.624 -1.991 . . . . 25.690000000000001 105.624 -179.234 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.8 29.69 72.96 Favored Glycine 0 C--O 1.258 1.64 0 O-C-N 125.254 1.596 . . . . 14.65 112.372 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.2 p -107.54 177.82 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.292 0.642 . . . . 12.15 110.087 173.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -68.86 -18.57 64.17 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 124.622 2.153 . . . . 21.050000000000001 111.362 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 93.6 m -88.09 -54.4 4.24 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 112.74 -2.027 . . . . 9.9000000000000004 109.365 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -121.91 109.6 14.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.568 2.418 . . . . 13.640000000000001 107.963 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . 0.297 81.0 p . . . . . 0 N--CA 1.509 2.513 0 O-C-N 125.654 1.846 . . . . 24.59 110.414 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HEM . . . . . 0.479 ' O2D' ' OG1' ' A' ' 14' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HEM . . . . . 0.488 ' O2A' ' NE2' ' A' ' 67' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HEM . . . . . 0.403 ' CMC' ' CBC' ' A' ' 111' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . 0.507 ' O ' ' NZ ' ' A' ' 60' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.258 1.517 0 CA-C-O 123.077 1.418 . . . . 47.380000000000003 111.564 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 1' ' ' ALA . 85.9 Cg_endo -69.12 168.79 19.7 Favored 'Trans proline' 0 C--O 1.247 0.956 0 N-CA-C 106.799 -2.039 . . . . 46.609999999999999 106.799 179.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.272 47.1 mtpt -120.88 138.35 54.13 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 126.104 2.127 . . . . 45.950000000000003 108.268 -179.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . . . -67.82 131.27 92.64 Favored Pre-proline 0 N--CA 1.501 2.11 0 N-CA-C 105.108 -2.182 . . . . 35.649999999999999 105.108 172.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . 0.493 ' HD2' ' CE1' ' A' ' 22' ' ' HIS . 2.7 Cg_exo -72.59 176.44 8.8 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.911 2.407 . . . . 30.449999999999999 109.24 178.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.09 150.74 40.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.117 -1.856 . . . . 25.02 112.261 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.76 169.81 0.2 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 112.706 -2.043 . . . . 20.579999999999998 108.368 175.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.83 20.93 69.67 Favored Glycine 0 C--O 1.253 1.288 0 O-C-N 126.988 2.68 . . . . 19.579999999999998 117.369 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.89 138.31 46.15 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 120.436 -1.626 . . . . 20.420000000000002 107.809 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -106.95 126.02 51.77 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.913 0.758 . . . . 28.699999999999999 110.101 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.8 mtp -98.78 105.99 18.2 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 102.454 -3.165 . . . . 12.640000000000001 102.454 173.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -131.91 31.72 4.16 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-O 115.652 -2.118 . . . . 19.300000000000001 115.437 -169.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -70.02 -18.59 63.32 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 124.994 1.434 . . . . 23.350000000000001 112.898 175.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -125.53 174.04 8.51 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 126.314 1.846 . . . . 10.470000000000001 110.094 -171.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 8.3 mttt -78.55 -1.68 35.18 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 114.04 -1.437 . . . . 26.75 110.931 -179.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.541 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 8.6 mm-40 -123.18 67.59 34.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 117.88 -1.057 . . . . 25.050000000000001 108.665 -179.7 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 15' ' ' LYS 0.254 16.2 Cg_endo -67.67 150.44 79.47 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 O-C-N 125.666 2.403 . . . . 11.6 114.655 -172.806 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.44 139.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 126.2 1.8 . . . . 10.359999999999999 110.457 -173.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -95.31 127.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 124.614 1.196 . . . . 10.35 108.746 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -111.27 127.53 55.65 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 125.266 1.604 . . . . 9.8599999999999994 108.255 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -112.42 127.21 55.97 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.868 0.867 . . . . 10.6 109.378 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' CE1' ' HD2' ' A' ' 5' ' ' PRO . 29.8 m80 -73.8 -34.47 64.63 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.693 -1.139 . . . . 11.039999999999999 111.263 179.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 p -65.1 -25.99 68.02 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 126.869 2.068 . . . . 14.289999999999999 112.366 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.6 p -87.83 -5.06 58.8 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 116.093 1.886 . . . . 12.529999999999999 116.093 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -116.92 25.69 10.34 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 119.296 -2.128 . . . . 11.51 110.349 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -62.05 -26.8 68.47 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 115.88 1.807 . . . . 24.739999999999998 115.88 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.21 -8.17 55.27 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 117.822 -1.085 . . . . 16.920000000000002 111.308 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -105.78 138.94 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.358 0 N-CA-C 102.966 -2.976 . . . . 14.390000000000001 102.966 -173.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.319 0.7 OUTLIER -70.18 138.97 52.25 Favored 'General case' 0 C--N 1.284 -2.261 0 O-C-N 125.885 1.99 . . . . 21.079999999999998 110.496 175.617 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 m -45.32 -47.88 13.18 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 115.462 -0.79 . . . . 12.85 111.924 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.88 -18.65 62.3 Favored Glycine 0 C--N 1.306 -1.09 0 C-N-CA 125.819 1.676 . . . . 9.0099999999999998 116.908 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.34 -30.66 70.53 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 116.409 -1.758 . . . . 15.34 109.06 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.7 m -107.4 -50.25 3.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 126.226 2.204 . . . . 7.1500000000000004 113.197 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -83.94 74.97 10.17 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 127.297 2.873 . . . . 8.9199999999999999 106.666 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -79.82 161.36 66.59 Favored Pre-proline 0 C--O 1.246 0.911 0 CA-C-O 123.968 1.842 . . . . 6.5 111.834 -165.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -63.13 140.57 78.92 Favored 'Trans proline' 0 C--O 1.252 1.204 0 C-N-CA 122.284 1.989 . . . . 7.6500000000000004 107.303 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -139.38 126.31 24.5 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.923 0 N-CA-C 102.213 -3.254 . . . . 11.140000000000001 102.213 169.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 54.8 33.7 20.28 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 125.751 1.907 . . . . 21.0 110.022 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.25 10.08 80.86 Favored Glycine 0 CA--C 1.487 -1.696 0 N-CA-C 118.744 2.258 . . . . 13.67 118.744 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.252 48.5 mttt -139.08 136.79 35.58 Favored 'General case' 0 CA--C 1.554 1.117 0 O-C-N 121.357 -1.084 . . . . 28.289999999999999 108.192 -179.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.65 137.37 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 126.527 2.392 . . . . 11.59 106.173 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -115.33 120.69 40.47 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 125.181 1.551 . . . . 11.56 108.736 -173.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -101.28 20.26 16.14 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 127.749 3.155 . . . . 11.0 115.415 -177.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.84 158.03 24.2 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 125.468 1.73 . . . . 14.32 108.95 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -55.93 138.45 48.65 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 105.228 -2.138 . . . . 24.059999999999999 105.228 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -50.48 -37.53 39.13 Favored 'General case' 0 C--O 1.251 1.154 0 O-C-N 127.455 2.972 . . . . 8.5700000000000003 113.233 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.29 13.24 19.87 Favored 'General case' 0 C--O 1.266 1.928 0 O-C-N 125.187 1.554 . . . . 9.8300000000000001 115.093 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -49.15 145.56 4.16 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 117.701 -1.142 . . . . 10.609999999999999 109.006 174.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.6 136.72 50.11 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.884 -1.154 . . . . 11.960000000000001 107.884 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . 0.461 ' HA2' ' HZ1' ' A' ' 63' ' ' LYS . . . 84.14 -1.99 88.19 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 116.511 -2.272 . . . . 11.890000000000001 109.767 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -101.03 -124.0 0.17 Allowed 'General case' 0 C--O 1.274 2.373 0 O-C-N 125.774 1.514 . . . . 9.4700000000000006 110.824 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 93.6 m-70 -96.39 68.63 2.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.091 -1.818 . . . . 8.0800000000000001 106.091 177.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -103.24 9.14 38.28 Favored 'General case' 0 C--O 1.289 3.149 0 O-C-N 126.491 2.37 . . . . 13.41 114.997 -173.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -92.79 111.22 22.76 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 105.691 -1.966 . . . . 13.83 105.691 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . 0.327 13.5 mmt -88.97 10.11 22.65 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 126.233 2.208 . . . . 12.449999999999999 113.725 -173.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -85.74 106.61 17.12 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 125.013 1.446 . . . . 19.280000000000001 107.447 174.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -59.9 -10.12 3.68 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 125.303 1.627 . . . . 17.940000000000001 114.548 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.274 91.6 mttt -90.93 -13.57 33.26 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.03 1.732 . . . . 28.960000000000001 114.738 179.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -75.1 137.44 41.4 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 106.844 -1.539 . . . . 15.890000000000001 106.844 -174.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -113.59 4.74 16.26 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 117.161 -1.4 . . . . 17.079999999999998 110.314 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -69.45 168.02 15.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.612 -1.625 . . . . 11.76 106.612 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . 0.429 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -56.59 -28.89 61.35 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 115.114 1.524 . . . . 12.06 115.114 173.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HZ1' ' HA2' ' A' ' 50' ' ' GLY . 1.3 mttt -66.36 -27.05 67.58 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.386 -1.293 . . . . 20.800000000000001 114.322 177.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 122.59 29.01 Favored Glycine 0 C--O 1.274 2.645 0 CA-C-N 119.51 1.05 . . . . 7.7599999999999998 114.616 -178.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -68.88 -48.8 62.5 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.924 -1.339 . . . . 7.7599999999999998 110.275 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 156' ' ' HOH . 28.2 t80 -54.78 -49.54 70.65 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.937 0.875 . . . . 13.15 108.681 179.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -51.38 -55.13 20.22 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-N 115.354 -0.839 . . . . 7.4800000000000004 110.806 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.24 63.51 Favored 'General case' 0 C--O 1.279 2.606 0 N-CA-C 113.177 0.806 . . . . 6.8799999999999999 113.177 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 mmt -91.05 -26.21 19.28 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 118.205 -0.902 . . . . 9.5399999999999991 112.985 -176.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -122.36 -20.31 6.16 Favored 'General case' 0 C--O 1.27 2.136 0 CA-C-O 113.056 -3.354 . . . . 6.3399999999999999 117.368 -168.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . 0.303 92.9 m-20 -81.2 158.36 24.91 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 123.29 2.768 . . . . 10.67 117.697 -170.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -101.38 163.37 12.3 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 115.104 -2.379 . . . . 23.609999999999999 106.35 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.66 17.81 78.3 Favored Glycine 0 CA--C 1.525 0.707 0 O-C-N 126.651 2.47 . . . . 7.4299999999999997 113.085 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 p -87.2 157.38 19.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.196 -1.409 . . . . 7.7999999999999998 107.196 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.269 64.9 tttt -57.74 -37.12 73.03 Favored 'General case' 0 C--O 1.271 2.218 0 N-CA-C 114.617 1.34 . . . . 14.890000000000001 114.617 -177.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.27 148.18 39.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 114.173 -2.822 . . . . 8.8599999999999994 104.468 171.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -67.74 135.09 52.16 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.918 2.145 . . . . 9.25 110.94 -179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -79.43 167.8 20.35 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.668 -0.864 . . . . 7.5499999999999998 108.668 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 m -49.69 -62.21 1.69 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.124 -1.806 . . . . 6.7699999999999996 106.124 174.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.16 -45.2 99.28 Favored 'Isoleucine or valine' 0 C--O 1.25 1.103 0 CA-C-N 116.245 -0.434 . . . . 7.8399999999999999 111.164 -174.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.94 -50.57 50.26 Favored Glycine 0 N--CA 1.481 1.637 0 CA-C-O 116.632 -2.204 . . . . 8.0299999999999994 109.073 178.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 29.6 t -68.65 -38.55 80.53 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.668 2.651 . . . . 8.75 111.265 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HIS . . . . . 0.523 ' HE1' ' C4A' ' A' ' 111' ' ' HEM . 31.8 m170 -64.72 -39.44 93.64 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 112.6 -2.091 . . . . 7.8099999999999996 108.116 -176.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.54 -48.28 77.62 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 126.05 2.094 . . . . 9.9800000000000004 108.918 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.59 -41.32 98.89 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-O 123.509 1.623 . . . . 20.260000000000002 110.082 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.9 m -59.93 -48.68 80.69 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 114.239 1.2 . . . . 14.44 114.239 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.7 69.35 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 118.59 -2.569 . . . . 11.56 112.547 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' A' ' 94' ' ' LYS . . . 57.45 -128.84 48.45 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 107.388 -2.285 . . . . 12.49 107.388 -179.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.26 9.98 39.34 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 115.366 -2.254 . . . . 11.4 111.425 -173.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . 0.587 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 38.3 t0 -86.12 112.78 21.62 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.215 2.822 . . . . 10.27 108.123 -175.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.65 83.5 Favored 'General case' 0 C--O 1.252 1.211 0 O-C-N 128.423 3.577 . . . . 9.4000000000000004 110.061 -171.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.23 -50.11 74.73 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 126.689 2.493 . . . . 8.4800000000000004 112.295 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -63.59 -39.74 95.16 Favored 'General case' 0 CA--C 1.498 -1.022 0 O-C-N 118.829 -2.419 . . . . 12.33 111.401 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' A' ' 90' ' ' ASP . 63.5 mttt -54.83 -46.22 74.58 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 117.896 -3.002 . . . . 23.73 109.501 177.499 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -58.87 6.47 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 113.428 -1.715 . . . . 21.920000000000002 110.336 179.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . 0.756 ' HG2' ' HD2' ' A' ' 104' ' ' LYS . 4.1 tt0 -53.42 -45.35 69.36 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 114.931 1.456 . . . . 21.25 114.931 178.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.6 mt -97.89 -21.64 16.78 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 115.981 1.845 . . . . 7.7000000000000002 115.981 -174.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 p -128.07 -2.4 5.79 Favored 'General case' 0 C--O 1.277 2.502 0 N-CA-C 118.553 2.797 . . . . 9.5700000000000003 118.553 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.3 141.46 47.32 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 109.354 -1.498 . . . . 8.5099999999999998 109.354 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -78.74 -24.76 44.62 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 113.681 -1.259 . . . . 12.039999999999999 109.657 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.397 2.2 ttmm -141.01 145.59 36.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 105.624 -1.991 . . . . 25.690000000000001 105.624 -179.234 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.8 29.69 72.96 Favored Glycine 0 C--O 1.258 1.64 0 O-C-N 125.254 1.596 . . . . 14.65 112.372 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.2 p -107.54 177.82 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.292 0.642 . . . . 12.15 110.087 173.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LYS . . . . . 0.756 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 12.5 mttm -68.86 -18.57 64.17 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 124.622 2.153 . . . . 21.050000000000001 111.362 -179.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 93.6 m -88.09 -54.4 4.24 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 112.74 -2.027 . . . . 9.9000000000000004 109.365 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -121.91 109.6 14.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.568 2.418 . . . . 13.640000000000001 107.963 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . 0.297 81.0 p . . . . . 0 N--CA 1.509 2.513 0 O-C-N 125.654 1.846 . . . . 24.59 110.414 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HEM . . . . . 0.462 ' C4A' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HEM . . . . . 0.66 HBC2 ' CMC' ' A' ' 111' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . 0.402 ' O ' ' HE2' ' A' ' 94' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . 0.422 ' O ' ' HA ' ' A' ' 66' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' HA ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.258 1.517 0 CA-C-O 123.077 1.418 . . . . 47.380000000000003 111.564 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 1' ' ' ALA . 85.9 Cg_endo -69.12 168.79 19.7 Favored 'Trans proline' 0 C--O 1.247 0.956 0 N-CA-C 106.799 -2.039 . . . . 46.609999999999999 106.799 179.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.272 47.1 mtpt -120.88 138.35 54.13 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 126.104 2.127 . . . . 45.950000000000003 108.268 -179.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . . . -67.82 131.27 92.64 Favored Pre-proline 0 N--CA 1.501 2.11 0 N-CA-C 105.108 -2.182 . . . . 35.649999999999999 105.108 172.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.493 ' HD2' ' CE1' ' A' ' 22' ' ' HIS . 2.7 Cg_exo -72.59 176.44 8.8 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.911 2.407 . . . . 30.449999999999999 109.24 178.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.09 150.74 40.39 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.117 -1.856 . . . . 25.02 112.261 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -54.76 169.81 0.2 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 112.706 -2.043 . . . . 20.579999999999998 108.368 175.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.83 20.93 69.67 Favored Glycine 0 C--O 1.253 1.288 0 O-C-N 126.988 2.68 . . . . 19.579999999999998 117.369 177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.89 138.31 46.15 Favored 'General case' 0 C--O 1.25 1.121 0 O-C-N 120.436 -1.626 . . . . 20.420000000000002 107.809 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -106.95 126.02 51.77 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 123.913 0.758 . . . . 28.699999999999999 110.101 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.8 mtp -98.78 105.99 18.2 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 102.454 -3.165 . . . . 12.640000000000001 102.454 173.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -131.91 31.72 4.16 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-O 115.652 -2.118 . . . . 19.300000000000001 115.437 -169.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.2 mmtt -70.02 -18.59 63.32 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 124.994 1.434 . . . . 23.350000000000001 112.898 175.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -125.53 174.04 8.51 Favored 'General case' 0 C--N 1.308 -1.216 0 C-N-CA 126.314 1.846 . . . . 10.470000000000001 110.094 -171.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 8.3 mttt -78.55 -1.68 35.18 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 114.04 -1.437 . . . . 26.75 110.931 -179.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.541 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 8.6 mm-40 -123.18 67.59 34.91 Favored Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 117.88 -1.057 . . . . 25.050000000000001 108.665 -179.7 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 15' ' ' LYS 0.254 16.2 Cg_endo -67.67 150.44 79.47 Favored 'Trans proline' 0 C--N 1.319 -0.984 0 O-C-N 125.666 2.403 . . . . 11.6 114.655 -172.806 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -130.44 139.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 C-N-CA 126.2 1.8 . . . . 10.359999999999999 110.457 -173.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.4 t -95.31 127.71 47.08 Favored 'Isoleucine or valine' 0 C--O 1.258 1.533 0 O-C-N 124.614 1.196 . . . . 10.35 108.746 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -111.27 127.53 55.65 Favored 'General case' 0 C--O 1.246 0.893 0 O-C-N 125.266 1.604 . . . . 9.8599999999999994 108.255 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -112.42 127.21 55.97 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.868 0.867 . . . . 10.6 109.378 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' CE1' ' HD2' ' A' ' 5' ' ' PRO . 29.8 m80 -73.8 -34.47 64.63 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 114.693 -1.139 . . . . 11.039999999999999 111.263 179.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 p -65.1 -25.99 68.02 Favored 'General case' 0 C--O 1.272 2.263 0 C-N-CA 126.869 2.068 . . . . 14.289999999999999 112.366 -173.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.6 p -87.83 -5.06 58.8 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 116.093 1.886 . . . . 12.529999999999999 116.093 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -116.92 25.69 10.34 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 119.296 -2.128 . . . . 11.51 110.349 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -62.05 -26.8 68.47 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 115.88 1.807 . . . . 24.739999999999998 115.88 178.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.21 -8.17 55.27 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 117.822 -1.085 . . . . 16.920000000000002 111.308 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.4 t -105.78 138.94 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.358 0 N-CA-C 102.966 -2.976 . . . . 14.390000000000001 102.966 -173.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . 0.319 0.7 OUTLIER -70.18 138.97 52.25 Favored 'General case' 0 C--N 1.284 -2.261 0 O-C-N 125.885 1.99 . . . . 21.079999999999998 110.496 175.617 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.3 m -45.32 -47.88 13.18 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 115.462 -0.79 . . . . 12.85 111.924 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.88 -18.65 62.3 Favored Glycine 0 C--N 1.306 -1.09 0 C-N-CA 125.819 1.676 . . . . 9.0099999999999998 116.908 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -67.34 -30.66 70.53 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 116.409 -1.758 . . . . 15.34 109.06 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.7 m -107.4 -50.25 3.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 126.226 2.204 . . . . 7.1500000000000004 113.197 178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -83.94 74.97 10.17 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 127.297 2.873 . . . . 8.9199999999999999 106.666 173.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -79.82 161.36 66.59 Favored Pre-proline 0 C--O 1.246 0.911 0 CA-C-O 123.968 1.842 . . . . 6.5 111.834 -165.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -63.13 140.57 78.92 Favored 'Trans proline' 0 C--O 1.252 1.204 0 C-N-CA 122.284 1.989 . . . . 7.6500000000000004 107.303 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -139.38 126.31 24.5 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.923 0 N-CA-C 102.213 -3.254 . . . . 11.140000000000001 102.213 169.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 54.8 33.7 20.28 Favored 'General case' 0 C--O 1.256 1.402 0 O-C-N 125.751 1.907 . . . . 21.0 110.022 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.25 10.08 80.86 Favored Glycine 0 CA--C 1.487 -1.696 0 N-CA-C 118.744 2.258 . . . . 13.67 118.744 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . 0.252 48.5 mttt -139.08 136.79 35.58 Favored 'General case' 0 CA--C 1.554 1.117 0 O-C-N 121.357 -1.084 . . . . 28.289999999999999 108.192 -179.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.65 137.37 58.24 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 126.527 2.392 . . . . 11.59 106.173 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -115.33 120.69 40.47 Favored 'General case' 0 C--O 1.249 1.076 0 O-C-N 125.181 1.551 . . . . 11.56 108.736 -173.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -101.28 20.26 16.14 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 127.749 3.155 . . . . 11.0 115.415 -177.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -81.84 158.03 24.2 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 125.468 1.73 . . . . 14.32 108.95 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -55.93 138.45 48.65 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 105.228 -2.138 . . . . 24.059999999999999 105.228 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.2 m -50.48 -37.53 39.13 Favored 'General case' 0 C--O 1.251 1.154 0 O-C-N 127.455 2.972 . . . . 8.5700000000000003 113.233 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.29 13.24 19.87 Favored 'General case' 0 C--O 1.266 1.928 0 O-C-N 125.187 1.554 . . . . 9.8300000000000001 115.093 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -49.15 145.56 4.16 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 117.701 -1.142 . . . . 10.609999999999999 109.006 174.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.6 136.72 50.11 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 107.884 -1.154 . . . . 11.960000000000001 107.884 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.461 ' HA2' ' HZ1' ' A' ' 63' ' ' LYS . . . 84.14 -1.99 88.19 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 116.511 -2.272 . . . . 11.890000000000001 109.767 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 73.5 m -101.03 -124.0 0.17 Allowed 'General case' 0 C--O 1.274 2.373 0 O-C-N 125.774 1.514 . . . . 9.4700000000000006 110.824 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 93.6 m-70 -96.39 68.63 2.58 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 106.091 -1.818 . . . . 8.0800000000000001 106.091 177.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -103.24 9.14 38.28 Favored 'General case' 0 C--O 1.289 3.149 0 O-C-N 126.491 2.37 . . . . 13.41 114.997 -173.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -92.79 111.22 22.76 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 105.691 -1.966 . . . . 13.83 105.691 -179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . 0.327 13.5 mmt -88.97 10.11 22.65 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 126.233 2.208 . . . . 12.449999999999999 113.725 -173.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -85.74 106.61 17.12 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 125.013 1.446 . . . . 19.280000000000001 107.447 174.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -59.9 -10.12 3.68 Favored 'General case' 0 N--CA 1.434 -1.261 0 O-C-N 125.303 1.627 . . . . 17.940000000000001 114.548 -176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.274 91.6 mttt -90.93 -13.57 33.26 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.03 1.732 . . . . 28.960000000000001 114.738 179.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -75.1 137.44 41.4 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 106.844 -1.539 . . . . 15.890000000000001 106.844 -174.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.2 mmtt -113.59 4.74 16.26 Favored 'General case' 0 C--O 1.269 2.105 0 CA-C-O 117.161 -1.4 . . . . 17.079999999999998 110.314 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -69.45 168.02 15.4 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 106.612 -1.625 . . . . 11.76 106.612 175.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.429 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -56.59 -28.89 61.35 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 115.114 1.524 . . . . 12.06 115.114 173.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HZ1' ' HA2' ' A' ' 50' ' ' GLY . 1.3 mttt -66.36 -27.05 67.58 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.386 -1.293 . . . . 20.800000000000001 114.322 177.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -62.06 122.59 29.01 Favored Glycine 0 C--O 1.274 2.645 0 CA-C-N 119.51 1.05 . . . . 7.7599999999999998 114.616 -178.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -68.88 -48.8 62.5 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.924 -1.339 . . . . 7.7599999999999998 110.275 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 156' ' ' HOH . 28.2 t80 -54.78 -49.54 70.65 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.937 0.875 . . . . 13.15 108.681 179.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.488 ' NE2' ' O2A' ' A' ' 109' ' ' HEM . 54.0 t60 -51.38 -55.13 20.22 Favored 'General case' 0 C--O 1.265 1.897 0 CA-C-N 115.354 -0.839 . . . . 7.4800000000000004 110.806 178.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.62 -26.24 63.51 Favored 'General case' 0 C--O 1.279 2.606 0 N-CA-C 113.177 0.806 . . . . 6.8799999999999999 113.177 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 mmt -91.05 -26.21 19.28 Favored 'General case' 0 C--O 1.261 1.691 0 CA-C-O 118.205 -0.902 . . . . 9.5399999999999991 112.985 -176.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -122.36 -20.31 6.16 Favored 'General case' 0 C--O 1.27 2.136 0 CA-C-O 113.056 -3.354 . . . . 6.3399999999999999 117.368 -168.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . 0.303 92.9 m-20 -81.2 158.36 24.91 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 123.29 2.768 . . . . 10.67 117.697 -170.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -101.38 163.37 12.3 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-O 115.104 -2.379 . . . . 23.609999999999999 106.35 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.66 17.81 78.3 Favored Glycine 0 CA--C 1.525 0.707 0 O-C-N 126.651 2.47 . . . . 7.4299999999999997 113.085 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 p -87.2 157.38 19.36 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.196 -1.409 . . . . 7.7999999999999998 107.196 -179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . 0.269 64.9 tttt -57.74 -37.12 73.03 Favored 'General case' 0 C--O 1.271 2.218 0 N-CA-C 114.617 1.34 . . . . 14.890000000000001 114.617 -177.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -115.27 148.18 39.49 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 114.173 -2.822 . . . . 8.8599999999999994 104.468 171.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -67.74 135.09 52.16 Favored 'General case' 0 N--CA 1.497 1.894 0 CA-C-N 121.918 2.145 . . . . 9.25 110.94 -179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.7 p -79.43 167.8 20.35 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.668 -0.864 . . . . 7.5499999999999998 108.668 176.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.6 m -49.69 -62.21 1.69 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 106.124 -1.806 . . . . 6.7699999999999996 106.124 174.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.16 -45.2 99.28 Favored 'Isoleucine or valine' 0 C--O 1.25 1.103 0 CA-C-N 116.245 -0.434 . . . . 7.8399999999999999 111.164 -174.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -52.94 -50.57 50.26 Favored Glycine 0 N--CA 1.481 1.637 0 CA-C-O 116.632 -2.204 . . . . 8.0299999999999994 109.073 178.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 29.6 t -68.65 -38.55 80.53 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.668 2.651 . . . . 8.75 111.265 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.523 ' HE1' ' C4A' ' A' ' 111' ' ' HEM . 31.8 m170 -64.72 -39.44 93.64 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 112.6 -2.091 . . . . 7.8099999999999996 108.116 -176.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.54 -48.28 77.62 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 126.05 2.094 . . . . 9.9800000000000004 108.918 178.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.59 -41.32 98.89 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-O 123.509 1.623 . . . . 20.260000000000002 110.082 -176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.9 m -59.93 -48.68 80.69 Favored 'General case' 0 C--O 1.261 1.692 0 N-CA-C 114.239 1.2 . . . . 14.44 114.239 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.31 -29.7 69.35 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 118.59 -2.569 . . . . 11.56 112.547 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' HE2' ' A' ' 94' ' ' LYS . . . 57.45 -128.84 48.45 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 107.388 -2.285 . . . . 12.49 107.388 -179.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -96.26 9.98 39.34 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 115.366 -2.254 . . . . 11.4 111.425 -173.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.587 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 38.3 t0 -86.12 112.78 21.62 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.215 2.822 . . . . 10.27 108.123 -175.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.65 83.5 Favored 'General case' 0 C--O 1.252 1.211 0 O-C-N 128.423 3.577 . . . . 9.4000000000000004 110.061 -171.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.23 -50.11 74.73 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 126.689 2.493 . . . . 8.4800000000000004 112.295 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -63.59 -39.74 95.16 Favored 'General case' 0 CA--C 1.498 -1.022 0 O-C-N 118.829 -2.419 . . . . 12.33 111.401 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' A' ' 90' ' ' ASP . 63.5 mttt -54.83 -46.22 74.58 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 117.896 -3.002 . . . . 23.73 109.501 177.499 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -58.87 6.47 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 113.428 -1.715 . . . . 21.920000000000002 110.336 179.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.756 ' HG2' ' HD2' ' A' ' 104' ' ' LYS . 4.1 tt0 -53.42 -45.35 69.36 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 114.931 1.456 . . . . 21.25 114.931 178.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 65.6 mt -97.89 -21.64 16.78 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 115.981 1.845 . . . . 7.7000000000000002 115.981 -174.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 p -128.07 -2.4 5.79 Favored 'General case' 0 C--O 1.277 2.502 0 N-CA-C 118.553 2.797 . . . . 9.5700000000000003 118.553 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.3 141.46 47.32 Favored Glycine 0 N--CA 1.44 -1.034 0 N-CA-C 109.354 -1.498 . . . . 8.5099999999999998 109.354 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.2 m -78.74 -24.76 44.62 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-N 113.681 -1.259 . . . . 12.039999999999999 109.657 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . 0.397 2.2 ttmm -141.01 145.59 36.13 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 105.624 -1.991 . . . . 25.690000000000001 105.624 -179.234 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 61.8 29.69 72.96 Favored Glycine 0 C--O 1.258 1.64 0 O-C-N 125.254 1.596 . . . . 14.65 112.372 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.2 p -107.54 177.82 4.72 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.292 0.642 . . . . 12.15 110.087 173.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.756 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 12.5 mttm -68.86 -18.57 64.17 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-O 124.622 2.153 . . . . 21.050000000000001 111.362 -179.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 93.6 m -88.09 -54.4 4.24 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 112.74 -2.027 . . . . 9.9000000000000004 109.365 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -121.91 109.6 14.83 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 126.568 2.418 . . . . 13.640000000000001 107.963 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . 0.297 81.0 p . . . . . 0 N--CA 1.509 2.513 0 O-C-N 125.654 1.846 . . . . 24.59 110.414 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HEM . . . . . 0.488 ' O2A' ' NE2' ' A' ' 67' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HEM . . . . . 0.462 ' C4A' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HEM . . . . . 0.66 HBC2 ' CMC' ' A' ' 111' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . 0.402 ' O ' ' HE2' ' A' ' 94' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . 0.422 ' O ' ' HA ' ' A' ' 66' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_