data_1dr5_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 1dr5 _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' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.242 0.666 0 N-CA-C 107.992 -1.114 . . . . 74.46 107.992 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . . . -69.99 -34.61 73.56 Favored 'General case' 0 C--O 1.263 1.784 0 N-CA-C 115.344 1.609 . . . . 70.0 115.344 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . 0.419 ' CA ' ' CD1' ' A' ' 129' ' ' ILE . 24.0 p -166.43 158.77 13.97 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 119.472 -0.891 . . . . 56.25 111.035 -176.92 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.279 62.8 mt -115.83 160.47 20.11 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.681 1.238 . . . . 36.96 108.52 178.68 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -131.28 142.33 50.11 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 127.336 2.897 . . . . 32.1 105.418 170.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 m -129.35 144.79 51.37 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 126.828 2.58 . . . . 26.47 104.397 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.5 tt -136.73 135.59 48.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 127.518 3.011 . . . . 32.78 106.485 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -150.39 155.2 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 127.125 2.766 . . . . 23.86 108.436 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.66 128.03 56.28 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 129.049 3.968 . . . . 30.18 105.291 170.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.94 149.67 33.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 123.035 1.398 . . . . 31.46 111.367 178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . 0.783 ' SG ' ' CZ3' ' A' ' 24' ' ' TRP 0.522 4.4 p -101.23 -168.96 1.63 Allowed 'General case' 0 C--O 1.251 1.178 0 C-N-CA 115.896 -2.322 . . . . 57.51 108.554 173.499 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . 0.637 2.5 mt-30 -56.66 -33.83 66.76 Favored 'General case' 0 C--O 1.267 1.979 0 N-CA-C 117.667 2.469 . . . . 67.57 117.667 -175.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 705' ' ' HOH . 0.5 OUTLIER -96.44 20.87 9.91 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 116.445 -2.102 . . . . 61.2 109.885 178.429 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . . . 66.71 23.15 10.24 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 119.788 1.176 . . . . 46.56 111.916 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . 0.703 ' N ' ' O ' ' A' ' 705' ' ' HOH . . . -79.97 143.08 24.97 Favored Glycine 0 C--O 1.261 1.84 0 N-CA-C 108.186 -1.966 . . . . 28.5 108.186 178.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -123.56 -7.54 7.58 Favored 'Isoleucine or valine' 0 C--O 1.256 1.42 0 N-CA-C 114.744 1.387 . . . . 27.36 114.744 178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.57 164.83 38.38 Favored Glycine 0 N--CA 1.49 2.248 0 CA-C-O 123.706 1.726 . . . . 31.36 112.787 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 607' ' ' HOH . 18.9 tptt -153.75 131.78 11.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 112.665 -1.767 . . . . 55.71 106.924 178.717 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 50.06 38.73 17.44 Favored 'General case' 0 C--O 1.274 2.343 0 O-C-N 126.848 2.593 . . . . 61.91 114.184 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.08 5.45 89.17 Favored Glycine 0 C--O 1.264 2.02 0 CA-C-O 118.875 -0.959 . . . . 52.2 114.26 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.26 34.1 t30 -140.01 -168.44 2.52 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 117.075 -1.44 . . . . 76.24 110.39 178.514 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.2 mt -80.04 151.77 73.45 Favored Pre-proline 0 N--CA 1.474 0.737 0 O-C-N 126.485 2.366 . . . . 41.74 110.771 176.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -72.2 -22.91 21.7 Favored 'Trans proline' 0 CA--C 1.499 -1.269 0 O-C-N 124.928 2.015 . . . . 40.53 113.242 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . 0.783 ' CZ3' ' SG ' ' A' ' 11' ' ' CYS . 5.5 p90 -113.44 157.6 40.83 Favored Pre-proline 0 N--CA 1.485 1.287 0 CA-C-N 120.622 1.555 . . . . 38.13 111.085 -177.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.46 170.71 10.52 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 N-CA-C 104.938 -2.755 . . . . 38.6 104.938 172.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -67.23 136.68 41.28 Favored 'Trans proline' 0 CA--C 1.494 -1.506 0 O-C-N 123.17 1.09 . . . . 39.9 114.063 -172.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.6 mt -115.21 111.52 21.09 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 104.351 -2.463 . . . . 37.82 104.351 172.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . . . -54.33 -54.16 44.1 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.916 2.01 . . . . 65.44 114.573 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.358 67.1 m-80 -65.37 -38.96 91.61 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 126.872 2.069 . . . . 63.49 114.71 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.41 -47.63 85.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.318 -1.488 . . . . 66.76 108.374 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -56.52 -50.38 72.0 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.789 -1.55 . . . . 65.39 113.33 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -61.23 -33.63 73.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.313 1.054 . . . . 65.85 108.469 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.34 -43.29 95.09 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-O 122.76 1.267 . . . . 41.24 110.621 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -64.46 -48.05 76.74 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.994 -1.912 . . . . 32.96 109.011 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' NE2' ' NH1' ' A' ' 70' ' ' ARG . 3.9 mm-40 -57.21 -53.56 56.69 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 125.319 1.637 . . . . 56.1 111.997 177.703 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . . . -59.2 -49.93 75.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.218 -0.901 . . . . 62.14 109.699 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.31 -46.62 89.23 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 114.083 1.142 . . . . 43.87 114.083 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.9 p -79.59 -25.73 41.47 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 120.313 -1.492 . . . . 33.43 115.008 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 m -83.86 -34.74 24.55 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 119.946 -1.721 . . . . 45.17 114.283 -178.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . 0.586 ' O ' ' CE ' ' A' ' 111' ' ' MET . 31.9 m -73.77 110.46 8.07 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.982 1.845 . . . . 40.83 115.982 -174.631 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . 0.272 11.0 t -99.62 151.74 20.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 116.939 -1.505 . . . . 53.12 107.159 176.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . 0.576 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 26.5 m80 -107.99 42.17 1.41 Allowed 'General case' 0 C--O 1.253 1.271 0 O-C-N 126.146 2.154 . . . . 72.1 111.109 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . 0.576 ' CG2' ' O ' ' A' ' 42' ' ' HIS . 16.4 t -161.22 130.16 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 O-C-N 125.193 1.558 . . . . 60.93 107.807 -176.787 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.386 15.0 pt-20 -68.5 135.05 51.02 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 124.02 1.867 . . . . 90.82 110.874 -178.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.85 88.82 Favored Glycine 0 C--O 1.256 1.492 0 CA-C-N 112.612 -2.085 . . . . 65.81 114.0 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -114.62 164.75 13.6 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 118.077 0.939 . . . . 67.12 108.593 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -133.87 161.31 35.11 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 105.696 -1.964 . . . . 56.79 105.696 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.35 155.48 19.68 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 128.576 3.672 . . . . 37.7 106.281 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -113.25 136.55 52.61 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 128.811 3.82 . . . . 35.94 107.402 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.3 m -115.14 130.89 68.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 112.76 -2.018 . . . . 32.67 108.202 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 mt -112.96 132.67 61.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 124.926 1.391 . . . . 33.89 109.069 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.3 ptp -150.11 160.27 43.78 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 116.584 -2.046 . . . . 29.64 108.775 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 176.04 50.66 Favored Glycine 0 CA--C 1.534 1.27 0 O-C-N 126.375 2.297 . . . . 30.12 107.999 176.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . 0.644 ' NZ ' ' O3X' ' A' ' 191' ' ' NAP . 20.4 ttpt -72.72 -43.37 63.08 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 125.079 1.352 . . . . 31.93 110.573 -172.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . 0.764 ' CD ' ' O ' ' A' ' 667' ' ' HOH . 38.6 tttt -67.24 -39.19 86.14 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 125.779 1.924 . . . . 55.03 108.575 -177.381 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.1 m -63.12 -46.57 86.68 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.491 -0.884 . . . . 29.08 111.513 177.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -53.97 -47.16 71.64 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.076 0.465 . . . . 32.14 110.829 177.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.252 56.0 m-85 -71.36 -15.34 62.38 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-N 114.152 -1.385 . . . . 36.3 110.924 -177.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 p -76.44 -14.76 60.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 116.502 -2.079 . . . . 34.92 109.619 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.9 mt -82.84 131.71 53.55 Favored Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 118.403 -1.319 . . . . 35.48 109.117 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -49.6 130.73 26.79 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 126.223 2.696 . . . . 32.6 105.579 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -51.02 -43.68 60.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 125.784 1.634 . . . . 77.48 113.83 -175.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.363 0.0 OUTLIER -67.31 -21.16 65.69 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 114.427 -1.261 . . . . 55.15 110.545 -179.086 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -91.67 14.99 13.61 Favored 'General case' 0 C--O 1.273 2.337 0 CA-C-O 115.91 -1.995 . . . . 60.12 113.031 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -114.44 150.21 43.44 Favored Pre-proline 0 N--CA 1.495 1.817 0 CA-C-N 120.739 1.609 . . . . 40.06 110.913 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -77.42 164.48 86.46 Favored 'Cis proline' 0 C--N 1.322 -0.841 0 O-C-N 123.32 1.168 . . . . 33.33 109.135 -8.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.8 117.22 3.0 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 105.68 -1.97 . . . . 34.37 105.68 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -54.08 141.24 29.27 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 126.512 2.383 . . . . 74.95 111.071 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 67.31 16.05 10.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 126.347 2.279 . . . . 59.51 114.909 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' NH1' ' NE2' ' A' ' 35' ' ' GLN . 18.8 mtm180 -136.23 151.72 49.99 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 125.737 1.898 . . . . 37.76 106.427 177.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.7 mt -84.44 112.76 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 105.93 -1.878 . . . . 46.31 105.93 173.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASN . . . . . 0.433 ' N ' ' ND2' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.85 118.72 25.51 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 126.614 1.965 . . . . 32.51 112.236 176.987 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.17 126.33 74.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 O-C-N 125.296 1.622 . . . . 33.29 107.034 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.45 141.36 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 126.735 2.522 . . . . 36.14 109.984 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.0 mt -104.83 135.63 45.83 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 125.758 1.911 . . . . 33.4 108.351 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.4 t -164.08 137.25 5.22 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.268 -1.753 . . . . 36.82 106.268 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -90.97 -18.01 25.39 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 128.644 3.715 . . . . 80.54 107.075 174.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.287 24.0 mt-10 -95.82 -36.93 10.96 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 118.663 2.838 . . . . 44.71 118.663 -179.568 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.65 151.75 40.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 121.232 1.833 . . . . 46.23 110.915 -177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -96.35 -33.23 12.01 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 110.753 -2.93 . . . . 87.9 109.79 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . 0.527 ' C ' ' CD2' ' A' ' 89' ' ' LEU . . . -136.44 157.74 46.08 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.596 1.158 . . . . 57.7 111.164 179.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.03 135.94 87.72 Favored Pre-proline 0 N--CA 1.472 0.651 0 N-CA-C 105.83 -1.915 . . . . 48.22 105.83 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -65.46 149.89 87.42 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 N-CA-C 104.038 -3.101 . . . . 42.92 104.038 178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -51.62 119.99 4.74 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.719 1.887 . . . . 62.4 110.577 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.98 -22.45 33.41 Favored Glycine 0 C--O 1.251 1.191 0 C-N-CA 125.289 1.423 . . . . 44.27 114.878 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.01 147.51 34.81 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.13 -1.433 . . . . 41.09 107.13 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 72' ' ' ASN . 36.5 m80 -78.97 -43.41 24.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 127.785 3.178 . . . . 40.41 111.635 177.303 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -148.76 153.78 38.66 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 119.379 0.99 . . . . 56.24 111.012 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . 0.527 ' CD2' ' C ' ' A' ' 81' ' ' GLU . 2.6 tp -121.89 135.99 54.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 129.031 3.957 . . . . 47.69 103.662 -179.611 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -135.13 146.83 49.18 Favored 'General case' 0 C--N 1.311 -1.098 0 O-C-N 127.849 3.218 . . . . 45.87 107.401 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 279' ' ' HOH 0.295 1.4 mttp -88.12 -12.34 44.36 Favored 'General case' 0 CA--C 1.495 -1.161 0 O-C-N 127.341 2.9 . . . . 68.99 113.475 -177.407 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 p -160.1 171.2 19.71 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.927 -1.508 . . . . 34.79 106.927 174.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.37 -40.7 96.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 127.661 3.1 . . . . 42.23 108.036 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -54.47 -48.69 71.5 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 126.281 2.238 . . . . 57.45 110.809 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -58.55 -45.96 87.85 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 125.29 1.619 . . . . 59.35 110.485 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.47 81.56 Favored 'General case' 0 C--O 1.258 1.537 0 CA-C-N 114.404 -1.271 . . . . 44.28 108.094 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . 0.343 56.8 mt -58.47 -50.0 75.3 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 123.579 1.656 . . . . 47.28 109.668 -177.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.52 -57.87 7.87 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 114.117 -1.402 . . . . 52.98 109.624 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 tp -46.46 -47.7 19.11 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.39 1.09 . . . . 46.45 110.812 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.65 -35.02 69.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 118.463 -0.78 . . . . 57.83 111.15 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.46 -22.16 60.25 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 126.518 2.386 . . . . 71.74 108.007 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.28 0.5 OUTLIER -46.51 152.27 0.9 Allowed Pre-proline 0 N--CA 1.477 0.888 0 O-C-N 126.445 2.341 . . . . 74.16 107.442 178.786 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -62.35 -48.15 8.37 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.906 2.404 . . . . 78.88 111.596 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -50.48 -39.72 48.99 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.981 1.425 . . . . 84.1 111.433 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -54.34 4.05 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 125.929 1.692 . . . . 77.35 114.526 -177.112 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . . . -36.26 -45.42 0.46 Allowed 'General case' 0 C--O 1.248 1.001 0 CA-C-N 115.772 -0.649 . . . . 72.93 112.023 -175.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.7 p -72.28 -27.37 62.43 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 114.116 1.154 . . . . 75.8 114.116 -176.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . 0.755 ' NZ ' ' CB ' ' A' ' 108' ' ' LYS . 3.1 ttpp -94.63 -4.8 47.04 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.953 2.205 . . . . 75.76 116.953 -175.409 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 50.3 t -117.36 128.66 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 116.157 1.91 . . . . 46.69 116.157 -172.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASP . . . . . 0.411 ' OD2' ' N ' ' A' ' 42' ' ' HIS . 53.5 t0 -90.84 -85.55 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.626 -1.625 . . . . 43.41 108.905 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' MET . . . . . 0.586 ' CE ' ' O ' ' A' ' 40' ' ' THR . 1.7 mtm -103.4 149.21 25.01 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 125.306 2.479 . . . . 52.26 114.751 -179.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.2 t -107.9 120.77 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 113.137 -1.847 . . . . 30.65 109.236 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -117.93 131.39 56.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 126.683 2.489 . . . . 32.55 110.028 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.2 mm -94.99 121.33 45.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-O 114.766 -2.54 . . . . 30.13 104.997 174.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.283 4.4 m -113.5 18.94 7.34 Favored 'Isoleucine or valine' 0 C--O 1.269 2.121 0 O-C-N 127.718 3.136 . . . . 24.34 115.559 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.39 -176.92 42.14 Favored Glycine 0 N--CA 1.483 1.771 0 O-C-N 123.778 0.674 . . . . 24.81 113.227 171.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -79.55 -153.46 7.99 Favored Glycine 0 N--CA 1.436 -1.344 1 C-N-CA 132.736 4.969 . . . . 25.18 115.655 4.019 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 318' ' ' HOH . 68.8 m -44.59 -61.12 1.67 Allowed 'General case' 0 C--O 1.248 1.024 0 C-N-CA 127.293 2.237 . . . . 29.25 113.46 -174.282 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.0 73.41 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 113.66 -1.609 . . . . 31.77 111.15 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.3 t -68.81 -43.6 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 120.143 -0.623 . . . . 26.71 110.642 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.44 -50.04 74.3 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 113.909 -1.496 . . . . 28.97 108.022 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.11 -50.9 65.81 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 126.075 2.109 . . . . 60.84 115.591 -177.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.46 31.51 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.635 -1.621 . . . . 34.56 108.258 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 125.15 1.531 . . . . 31.72 111.213 -177.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . 0.33 69.6 mtm -63.97 -31.9 73.25 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 57.03 112.806 -178.934 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -76.76 -22.1 54.26 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 114.884 1.439 . . . . 63.03 114.884 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -64.58 134.45 96.02 Favored Pre-proline 0 N--CA 1.486 1.358 0 CA-C-N 120.271 1.396 . . . . 55.26 108.121 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -82.2 69.07 7.63 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 N-CA-C 106.244 -2.252 . . . . 48.29 106.244 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ILE . . . . . 0.517 ' C ' ' CG2' ' A' ' 186' ' ' VAL . 0.1 OUTLIER -140.49 153.99 22.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.583 -2.099 . . . . 54.67 109.272 178.424 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -54.41 132.39 44.18 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 127.8 3.187 . . . . 59.53 106.111 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -153.02 134.8 14.59 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 112.31 -2.223 . . . . 34.16 111.06 -174.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . 0.489 ' NH1' ' OE1' ' A' ' 183' ' ' GLN . 34.7 mtm-85 -116.32 133.0 56.51 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 113.458 -1.701 . . . . 62.01 109.166 174.514 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 27.4 tp -119.41 118.38 31.0 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 112.969 -1.923 . . . . 30.68 107.871 -176.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -102.42 107.45 18.44 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 127.788 3.18 . . . . 33.58 105.853 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.66 130.08 63.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 O-C-N 127.473 2.983 . . . . 32.11 112.372 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.7 m -101.26 109.95 21.89 Favored 'General case' 0 C--O 1.266 1.959 0 CA-C-O 116.279 -1.819 . . . . 29.45 107.555 169.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 17.1 mtt-85 -93.85 112.13 23.93 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 125.011 1.444 . . . . 48.42 110.395 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 94.0 mt -89.24 114.56 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 126.881 2.613 . . . . 34.04 105.942 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' LEU . . . . . 0.649 ' C ' ' CD2' ' A' ' 140' ' ' HIS . 41.8 mt -77.92 50.91 0.91 Allowed 'General case' 0 C--N 1.287 -2.142 0 C-N-CA 125.832 1.653 . . . . 41.1 114.616 -173.514 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HIS . . . . . 0.649 ' CD2' ' C ' ' A' ' 139' ' ' LEU . 25.7 m-70 -154.27 166.24 33.78 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 125.281 1.613 . . . . 54.75 106.911 179.341 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.82 129.27 56.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.921 -1.14 . . . . 81.16 107.921 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' PHE . . . . . 0.554 ' CD1' ' SG ' ' A' ' 11' ' ' CYS . 36.6 m-85 -124.93 155.26 39.86 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 128.457 3.598 . . . . 54.32 104.043 174.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -69.92 131.88 45.11 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 127.86 3.225 . . . . 85.59 106.815 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 623' ' ' HOH . 20.8 m -135.18 153.84 51.82 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 125.943 2.027 . . . . 44.34 109.858 179.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -123.69 2.24 8.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 113.989 -1.46 . . . . 44.52 108.862 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 29.4 m -137.01 138.5 40.56 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 105.575 -2.009 . . . . 34.19 105.575 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 147' ' ' PHE . 13.1 m-85 -127.57 162.15 27.15 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 126.913 2.633 . . . . 37.36 116.917 -177.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -82.33 138.68 45.0 Favored Pre-proline 0 N--CA 1.488 1.47 0 CA-C-N 109.644 -3.434 . . . . 28.65 105.024 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -64.26 163.89 24.74 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 125.391 2.258 . . . . 32.01 109.095 178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.89 129.52 38.07 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 121.666 -0.646 . . . . 67.41 110.814 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ILE . . . . . 0.546 ' CD1' ' CB ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -93.39 133.09 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 125.309 1.631 . . . . 57.21 106.607 179.456 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.04 98.84 5.87 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.264 1.026 . . . . 42.52 108.849 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . 0.251 19.1 m-30 -60.48 -6.54 1.64 Allowed 'General case' 0 C--O 1.255 1.355 0 O-C-N 125.383 1.677 . . . . 43.05 114.2 178.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -88.1 -28.92 20.99 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 124.182 0.927 . . . . 48.55 110.199 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -93.16 -48.13 6.62 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 123.366 0.666 . . . . 56.27 112.625 -179.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' PHE . . . . . 0.546 ' CB ' ' CD1' ' A' ' 151' ' ' ILE . 69.8 m-85 -89.06 106.12 18.23 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.444 -1.707 . . . . 46.6 110.363 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 183' ' ' GLN . 0.7 OUTLIER -94.6 134.03 37.6 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.173 -1.417 . . . . 74.73 107.173 177.579 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.8 tp -75.99 126.35 30.83 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 127.359 2.912 . . . . 44.45 105.414 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.19 147.76 29.86 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 126.919 2.637 . . . . 47.58 106.839 174.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 30.0 p -85.96 -15.05 42.79 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 126.358 2.286 . . . . 62.17 109.665 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 162' ' ' TYR . 1.0 OUTLIER -162.49 152.78 16.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.863 1.316 . . . . 75.94 110.37 177.208 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' TYR . . . . . 0.475 ' N ' ' CG ' ' A' ' 161' ' ' GLU . 32.2 t80 -157.05 134.75 7.06 Favored Pre-proline 0 N--CA 1.437 -1.083 0 CA-C-N 112.484 -2.144 . . . . 46.51 110.816 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -51.7 110.84 0.47 Allowed 'Trans proline' 0 C--O 1.259 1.548 0 C-N-CA 124.698 3.598 . . . . 55.84 116.411 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.85 4.63 65.08 Favored Glycine 0 C--O 1.259 1.707 0 CA-C-N 113.801 -1.545 . . . . 61.38 113.6 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.78 110.66 57.13 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 108.218 -1.03 . . . . 51.03 108.218 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -53.87 144.69 54.38 Favored 'Trans proline' 0 C--O 1.246 0.886 0 N-CA-C 106.745 -2.06 . . . . 43.91 106.745 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -95.06 -34.03 12.47 Favored 'General case' 0 C--O 1.263 1.77 0 N-CA-C 114.552 1.315 . . . . 55.65 114.552 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -69.38 163.29 25.53 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.555 0.742 . . . . 76.48 111.084 -176.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.3 mt -69.18 132.36 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 112.832 -1.986 . . . . 46.78 105.982 170.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -98.6 163.24 12.74 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 126.574 2.421 . . . . 50.25 106.366 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -141.81 146.48 35.95 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 125.898 1.999 . . . . 63.63 107.646 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' GLU . . . . . 0.513 ' OE2' ' O ' ' A' ' 627' ' ' HOH . 69.0 tt0 -169.1 136.44 1.84 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 105.964 -1.865 . . . . 52.73 105.964 179.523 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 47.66 41.13 13.15 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.712 -2.09 . . . . 48.59 110.137 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 70.59 7.95 62.19 Favored Glycine 0 C--N 1.275 -2.856 0 O-C-N 126.989 2.68 . . . . 35.49 113.302 177.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.43 141.91 21.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 108.409 -0.96 . . . . 42.9 108.409 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -105.62 144.06 32.9 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.475 -1.238 . . . . 36.53 110.483 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -151.53 165.32 34.59 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 125.386 1.679 . . . . 42.82 109.337 173.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.51 146.55 46.37 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.933 -0.766 . . . . 72.61 108.933 174.454 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -93.22 138.5 31.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.86 2.6 . . . . 37.48 106.786 174.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -135.68 149.87 49.4 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.867 1.979 . . . . 45.73 108.075 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 12.2 t -129.58 129.51 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 O-C-N 127.464 2.977 . . . . 30.83 107.811 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.32 153.01 34.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 125.658 1.849 . . . . 33.97 106.408 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' GLN . . . . . 0.489 ' OE1' ' NH1' ' A' ' 132' ' ' ARG . 19.3 tt0 -134.74 132.71 39.13 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.235 2.209 . . . . 59.63 111.446 -176.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' LYS . . . . . 0.581 ' NZ ' ' O ' ' A' ' 608' ' ' HOH . 32.8 tttt -115.24 126.27 54.34 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 127.523 3.014 . . . . 43.49 107.483 174.112 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.8 m -107.48 125.98 51.94 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 113.509 -1.678 . . . . 62.65 111.809 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' VAL . . . . . 0.517 ' CG2' ' C ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.259 1.571 0 CA-C-O 113.13 -3.319 . . . . 75.71 106.797 175.295 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' NAP . . . . . 0.644 ' O3X' ' NZ ' ' A' ' 54' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . 0.559 ' O ' ' CE ' ' A' ' 111' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 279' ' ' HOH . . . . . 0.41 ' O ' ' CG ' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 295' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . 0.439 ' O ' ' CB ' ' A' ' 118' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 393' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 584' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . 0.429 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . 0.581 ' O ' ' NZ ' ' A' ' 184' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 623' ' ' HOH . . . . . 0.528 ' O ' ' N ' ' A' ' 144' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 627' ' ' HOH . . . . . 0.513 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 667' ' ' HOH . . . . . 0.764 ' O ' ' CD ' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 670' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 672' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 677' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 681' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 682' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 683' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 684' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 685' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 705' ' ' HOH . . . . . 0.703 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.242 0.666 0 N-CA-C 107.992 -1.114 . . . . 74.46 107.992 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . . . -69.99 -34.61 73.56 Favored 'General case' 0 C--O 1.263 1.784 0 N-CA-C 115.344 1.609 . . . . 70.0 115.344 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . 0.76 ' HA ' HD11 ' A' ' 129' ' ' ILE . 24.0 p -166.43 158.77 13.97 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 119.472 -0.891 . . . . 56.25 111.035 -176.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.279 62.8 mt -115.83 160.47 20.11 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.681 1.238 . . . . 36.96 108.52 178.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -131.28 142.33 50.11 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 127.336 2.897 . . . . 32.1 105.418 170.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 m -129.35 144.79 51.37 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 126.828 2.58 . . . . 26.47 104.397 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 134' ' ' PHE . 11.5 tt -136.73 135.59 48.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 127.518 3.011 . . . . 32.78 106.485 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -150.39 155.2 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 127.125 2.766 . . . . 23.86 108.436 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.66 128.03 56.28 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 129.049 3.968 . . . . 30.18 105.291 170.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.94 149.67 33.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 123.035 1.398 . . . . 31.46 111.367 178.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . 0.783 ' SG ' ' CZ3' ' A' ' 24' ' ' TRP 0.522 4.4 p -101.23 -168.96 1.63 Allowed 'General case' 0 C--O 1.251 1.178 0 C-N-CA 115.896 -2.322 . . . . 57.51 108.554 173.499 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . 0.637 11.0 mt-30 -56.66 -33.83 66.76 Favored 'General case' 0 C--O 1.267 1.979 0 N-CA-C 117.667 2.469 . . . . 67.57 117.667 -175.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 705' ' ' HOH . 0.5 OUTLIER -96.44 20.87 9.91 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 116.445 -2.102 . . . . 61.2 109.885 178.429 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . . . 66.71 23.15 10.24 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 119.788 1.176 . . . . 46.56 111.916 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.97 143.08 24.97 Favored Glycine 0 C--O 1.261 1.84 0 N-CA-C 108.186 -1.966 . . . . 28.5 108.186 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . 0.731 ' O ' ' H2N' ' A' ' 191' ' ' NAP . 26.2 pt -123.56 -7.54 7.58 Favored 'Isoleucine or valine' 0 C--O 1.256 1.42 0 N-CA-C 114.744 1.387 . . . . 27.36 114.744 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.57 164.83 38.38 Favored Glycine 0 N--CA 1.49 2.248 0 CA-C-O 123.706 1.726 . . . . 31.36 112.787 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HE2' ' CD ' ' A' ' 143' ' ' GLU . 18.9 tptt -153.75 131.78 11.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 112.665 -1.767 . . . . 55.71 106.924 178.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 50.06 38.73 17.44 Favored 'General case' 0 C--O 1.274 2.343 0 O-C-N 126.848 2.593 . . . . 61.91 114.184 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.08 5.45 89.17 Favored Glycine 0 C--O 1.264 2.02 0 CA-C-O 118.875 -0.959 . . . . 52.2 114.26 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.504 ' CG ' ' H ' ' A' ' 22' ' ' LEU 0.26 34.1 t30 -140.01 -168.44 2.52 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 117.075 -1.44 . . . . 76.24 110.39 178.514 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 0.504 ' H ' ' CG ' ' A' ' 21' ' ' ASN . 57.2 mt -80.04 151.77 73.45 Favored Pre-proline 0 N--CA 1.474 0.737 0 O-C-N 126.485 2.366 . . . . 41.74 110.771 176.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PRO . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 24' ' ' TRP . 3.4 Cg_endo -72.2 -22.91 21.7 Favored 'Trans proline' 0 CA--C 1.499 -1.269 0 O-C-N 124.928 2.015 . . . . 40.53 113.242 179.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . 0.783 ' CZ3' ' SG ' ' A' ' 11' ' ' CYS . 5.5 p90 -113.44 157.6 40.83 Favored Pre-proline 0 N--CA 1.485 1.287 0 CA-C-N 120.622 1.555 . . . . 38.13 111.085 -177.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.46 170.71 10.52 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 N-CA-C 104.938 -2.755 . . . . 38.6 104.938 172.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -67.23 136.68 41.28 Favored 'Trans proline' 0 CA--C 1.494 -1.506 0 O-C-N 123.17 1.09 . . . . 39.9 114.063 -172.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.6 mt -115.21 111.52 21.09 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 104.351 -2.463 . . . . 37.82 104.351 172.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' NE ' ' HE3' ' A' ' 32' ' ' LYS . . . -54.33 -54.16 44.1 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.916 2.01 . . . . 65.44 114.573 -179.208 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . 0.517 ' HB2' ' OE1' ' A' ' 172' ' ' GLU 0.358 67.1 m-80 -65.37 -38.96 91.61 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 126.872 2.069 . . . . 63.49 114.71 -179.123 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.41 -47.63 85.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.318 -1.488 . . . . 66.76 108.374 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -56.52 -50.38 72.0 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.789 -1.55 . . . . 65.39 113.33 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HE3' ' NE ' ' A' ' 28' ' ' ARG . 8.6 mttp -61.23 -33.63 73.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.313 1.054 . . . . 65.85 108.469 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.34 -43.29 95.09 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-O 122.76 1.267 . . . . 41.24 110.621 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -64.46 -48.05 76.74 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.994 -1.912 . . . . 32.96 109.011 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -57.21 -53.56 56.69 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 125.319 1.637 . . . . 56.1 111.997 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . . . -59.2 -49.93 75.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.218 -0.901 . . . . 62.14 109.699 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.31 -46.62 89.23 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 114.083 1.142 . . . . 43.87 114.083 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.9 p -79.59 -25.73 41.47 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 120.313 -1.492 . . . . 33.43 115.008 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 m -83.86 -34.74 24.55 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 119.946 -1.721 . . . . 45.17 114.283 -178.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.586 ' O ' ' CE ' ' A' ' 111' ' ' MET . 31.9 m -73.77 110.46 8.07 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.982 1.845 . . . . 40.83 115.982 -174.631 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . 0.272 11.0 t -99.62 151.74 20.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 116.939 -1.505 . . . . 53.12 107.159 176.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . 0.648 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.5 m80 -107.99 42.17 1.41 Allowed 'General case' 0 C--O 1.253 1.271 0 O-C-N 126.146 2.154 . . . . 72.1 111.109 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.833 HG11 ' HD2' ' A' ' 46' ' ' LYS . 16.4 t -161.22 130.16 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 O-C-N 125.193 1.558 . . . . 60.93 107.807 -176.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.386 15.0 pt-20 -68.5 135.05 51.02 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 124.02 1.867 . . . . 90.82 110.874 -178.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.85 88.82 Favored Glycine 0 C--O 1.256 1.492 0 CA-C-N 112.612 -2.085 . . . . 65.81 114.0 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . 0.833 ' HD2' HG11 ' A' ' 43' ' ' VAL . 12.7 mttt -114.62 164.75 13.6 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 118.077 0.939 . . . . 67.12 108.593 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -133.87 161.31 35.11 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 105.696 -1.964 . . . . 56.79 105.696 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.35 155.48 19.68 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 128.576 3.672 . . . . 37.7 106.281 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -113.25 136.55 52.61 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 128.811 3.82 . . . . 35.94 107.402 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.3 m -115.14 130.89 68.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 112.76 -2.018 . . . . 32.67 108.202 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 mt -112.96 132.67 61.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 124.926 1.391 . . . . 33.89 109.069 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.3 ptp -150.11 160.27 43.78 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 116.584 -2.046 . . . . 29.64 108.775 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 176.04 50.66 Favored Glycine 0 CA--C 1.534 1.27 0 O-C-N 126.375 2.297 . . . . 30.12 107.999 176.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . 0.596 ' NZ ' ' O3X' ' A' ' 191' ' ' NAP . 20.4 ttpt -72.72 -43.37 63.08 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 125.079 1.352 . . . . 31.93 110.573 -172.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.952 ' HD2' ' O ' ' A' ' 667' ' ' HOH . 38.6 tttt -67.24 -39.19 86.14 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 125.779 1.924 . . . . 55.03 108.575 -177.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.1 m -63.12 -46.57 86.68 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.491 -0.884 . . . . 29.08 111.513 177.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TRP . . . . . 0.594 ' CE2' ' HD3' ' A' ' 65' ' ' ARG . 34.1 t-105 -53.97 -47.16 71.64 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.076 0.465 . . . . 32.14 110.829 177.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.252 56.0 m-85 -71.36 -15.34 62.38 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-N 114.152 -1.385 . . . . 36.3 110.924 -177.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . 0.662 ' HB3' ' O ' ' A' ' 683' ' ' HOH . 21.4 p -76.44 -14.76 60.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 116.502 -2.079 . . . . 34.92 109.619 179.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.9 mt -82.84 131.71 53.55 Favored Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 118.403 -1.319 . . . . 35.48 109.117 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -49.6 130.73 26.79 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 126.223 2.696 . . . . 32.6 105.579 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -51.02 -43.68 60.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 125.784 1.634 . . . . 77.48 113.83 -175.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.363 0.0 OUTLIER -67.31 -21.16 65.69 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 114.427 -1.261 . . . . 55.15 110.545 -179.086 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -91.67 14.99 13.61 Favored 'General case' 0 C--O 1.273 2.337 0 CA-C-O 115.91 -1.995 . . . . 60.12 113.031 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . 0.594 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 27.5 mtt180 -114.44 150.21 43.44 Favored Pre-proline 0 N--CA 1.495 1.817 0 CA-C-N 120.739 1.609 . . . . 40.06 110.913 -178.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 72' ' ' ASN . 33.1 Cg_endo -77.42 164.48 86.46 Favored 'Cis proline' 0 C--N 1.322 -0.841 0 O-C-N 123.32 1.168 . . . . 33.33 109.135 -8.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.8 117.22 3.0 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 105.68 -1.97 . . . . 34.37 105.68 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -54.08 141.24 29.27 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 126.512 2.383 . . . . 74.95 111.071 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 67.31 16.05 10.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 126.347 2.279 . . . . 59.51 114.909 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -136.23 151.72 49.99 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 125.737 1.898 . . . . 37.76 106.427 177.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . 0.532 HD12 HG22 ' A' ' 109' ' ' VAL . 55.7 mt -84.44 112.76 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 105.93 -1.878 . . . . 46.31 105.93 173.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASN . . . . . 0.597 HD22 ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.85 118.72 25.51 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 126.614 1.965 . . . . 32.51 112.236 176.987 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.17 126.33 74.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 O-C-N 125.296 1.622 . . . . 33.29 107.034 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.45 141.36 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 126.735 2.522 . . . . 36.14 109.984 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' SER . 57.0 mt -104.83 135.63 45.83 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 125.758 1.911 . . . . 33.4 108.351 177.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.4 t -164.08 137.25 5.22 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.268 -1.753 . . . . 36.82 106.268 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . 0.761 ' HD2' ' O ' ' A' ' 393' ' ' HOH . 23.0 mtt180 -90.97 -18.01 25.39 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 128.644 3.715 . . . . 80.54 107.075 174.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.287 24.0 mt-10 -95.82 -36.93 10.96 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 118.663 2.838 . . . . 44.71 118.663 -179.568 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.65 151.75 40.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 121.232 1.833 . . . . 46.23 110.915 -177.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -96.35 -33.23 12.01 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 110.753 -2.93 . . . . 87.9 109.79 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . 0.565 ' C ' HD23 ' A' ' 89' ' ' LEU . . . -136.44 157.74 46.08 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.596 1.158 . . . . 57.7 111.164 179.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -59.03 135.94 87.72 Favored Pre-proline 0 N--CA 1.472 0.651 0 N-CA-C 105.83 -1.915 . . . . 48.22 105.83 178.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 7.3 Cg_exo -65.46 149.89 87.42 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 N-CA-C 104.038 -3.101 . . . . 42.92 104.038 178.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -51.62 119.99 4.74 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.719 1.887 . . . . 62.4 110.577 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.98 -22.45 33.41 Favored Glycine 0 C--O 1.251 1.191 0 C-N-CA 125.289 1.423 . . . . 44.27 114.878 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.01 147.51 34.81 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.13 -1.433 . . . . 41.09 107.13 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . 0.426 ' ND1' ' HA ' ' A' ' 71' ' ' ILE . 36.5 m80 -78.97 -43.41 24.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 127.785 3.178 . . . . 40.41 111.635 177.303 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -148.76 153.78 38.66 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 119.379 0.99 . . . . 56.24 111.012 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 81' ' ' GLU . 2.6 tp -121.89 135.99 54.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 129.031 3.957 . . . . 47.69 103.662 -179.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 49.6 m -135.13 146.83 49.18 Favored 'General case' 0 C--N 1.311 -1.098 0 O-C-N 127.849 3.218 . . . . 45.87 107.401 -179.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 279' ' ' HOH 0.295 1.4 mttp -88.12 -12.34 44.36 Favored 'General case' 0 CA--C 1.495 -1.161 0 O-C-N 127.341 2.9 . . . . 68.99 113.475 -177.407 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 p -160.1 171.2 19.71 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.927 -1.508 . . . . 34.79 106.927 174.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.37 -40.7 96.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 127.661 3.1 . . . . 42.23 108.036 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -54.47 -48.69 71.5 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 126.281 2.238 . . . . 57.45 110.809 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -58.55 -45.96 87.85 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 125.29 1.619 . . . . 59.35 110.485 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.47 81.56 Favored 'General case' 0 C--O 1.258 1.537 0 CA-C-N 114.404 -1.271 . . . . 44.28 108.094 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . 0.343 56.8 mt -58.47 -50.0 75.3 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 123.579 1.656 . . . . 47.28 109.668 -177.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.52 -57.87 7.87 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 114.117 -1.402 . . . . 52.98 109.624 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 tp -46.46 -47.7 19.11 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.39 1.09 . . . . 46.45 110.812 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.65 -35.02 69.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 118.463 -0.78 . . . . 57.83 111.15 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.46 -22.16 60.25 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 126.518 2.386 . . . . 71.74 108.007 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.28 0.5 OUTLIER -46.51 152.27 0.9 Allowed Pre-proline 0 N--CA 1.477 0.888 0 O-C-N 126.445 2.341 . . . . 74.16 107.442 178.786 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -62.35 -48.15 8.37 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.906 2.404 . . . . 78.88 111.596 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -50.48 -39.72 48.99 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.981 1.425 . . . . 84.1 111.433 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -54.34 4.05 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 125.929 1.692 . . . . 77.35 114.526 -177.112 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . . . -36.26 -45.42 0.46 Allowed 'General case' 0 C--O 1.248 1.001 0 CA-C-N 115.772 -0.649 . . . . 72.93 112.023 -175.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' SER . . . . . 0.576 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 36.7 p -72.28 -27.37 62.43 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 114.116 1.154 . . . . 75.8 114.116 -176.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . 0.883 ' HZ2' ' HB3' ' A' ' 108' ' ' LYS . 3.1 ttpp -94.63 -4.8 47.04 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.953 2.205 . . . . 75.76 116.953 -175.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . 0.532 HG22 HD12 ' A' ' 71' ' ' ILE . 50.3 t -117.36 128.66 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 116.157 1.91 . . . . 46.69 116.157 -172.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -90.84 -85.55 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.626 -1.625 . . . . 43.41 108.905 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' MET . . . . . 0.721 ' HE1' ' O ' ' A' ' 240' ' ' HOH . 1.7 mtm -103.4 149.21 25.01 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 125.306 2.479 . . . . 52.26 114.751 -179.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.2 t -107.9 120.77 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 113.137 -1.847 . . . . 30.65 109.236 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -117.93 131.39 56.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 126.683 2.489 . . . . 32.55 110.028 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ILE . . . . . 0.403 HG23 HG12 ' A' ' 120' ' ' VAL . 42.2 mm -94.99 121.33 45.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-O 114.766 -2.54 . . . . 30.13 104.997 174.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.283 4.4 m -113.5 18.94 7.34 Favored 'Isoleucine or valine' 0 C--O 1.269 2.121 0 O-C-N 127.718 3.136 . . . . 24.34 115.559 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.39 -176.92 42.14 Favored Glycine 0 N--CA 1.483 1.771 0 O-C-N 123.778 0.674 . . . . 24.81 113.227 171.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -79.55 -153.46 7.99 Favored Glycine 0 N--CA 1.436 -1.344 1 C-N-CA 132.736 4.969 . . . . 25.18 115.655 4.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' THR . . . . . 0.701 ' HB ' ' O ' ' A' ' 318' ' ' HOH . 68.8 m -44.59 -61.12 1.67 Allowed 'General case' 0 C--O 1.248 1.024 0 C-N-CA 127.293 2.237 . . . . 29.25 113.46 -174.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.0 73.41 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 113.66 -1.609 . . . . 31.77 111.15 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' VAL . . . . . 0.403 HG12 HG23 ' A' ' 114' ' ' ILE . 33.3 t -68.81 -43.6 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 120.143 -0.623 . . . . 26.71 110.642 -178.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.44 -50.04 74.3 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 113.909 -1.496 . . . . 28.97 108.022 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.11 -50.9 65.81 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 126.075 2.109 . . . . 60.84 115.591 -177.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.46 31.51 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.635 -1.621 . . . . 34.56 108.258 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 125.15 1.531 . . . . 31.72 111.213 -177.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . 0.33 69.6 mtm -63.97 -31.9 73.25 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 57.03 112.806 -178.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -76.76 -22.1 54.26 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 114.884 1.439 . . . . 63.03 114.884 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -64.58 134.45 96.02 Favored Pre-proline 0 N--CA 1.486 1.358 0 CA-C-N 120.271 1.396 . . . . 55.26 108.121 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -82.2 69.07 7.63 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 N-CA-C 106.244 -2.252 . . . . 48.29 106.244 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -140.49 153.99 22.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.583 -2.099 . . . . 54.67 109.272 178.424 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 129' ' ' ILE . 3.6 m-20 -54.41 132.39 44.18 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 127.8 3.187 . . . . 59.53 106.111 178.276 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -153.02 134.8 14.59 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 112.31 -2.223 . . . . 34.16 111.06 -174.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . 0.446 ' HD3' ' OE1' ' A' ' 183' ' ' GLN . 34.7 mtm-85 -116.32 133.0 56.51 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 113.458 -1.701 . . . . 62.01 109.166 174.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LEU . . . . . 0.481 ' HG ' HG23 ' A' ' 135' ' ' VAL . 27.4 tp -119.41 118.38 31.0 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 112.969 -1.923 . . . . 30.68 107.871 -176.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 63.9 m-85 -102.42 107.45 18.44 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 127.788 3.18 . . . . 33.58 105.853 -179.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 135' ' ' VAL . . . . . 0.481 HG23 ' HG ' ' A' ' 133' ' ' LEU . 62.5 t -109.66 130.08 63.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 O-C-N 127.473 2.983 . . . . 32.11 112.372 -179.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.7 m -101.26 109.95 21.89 Favored 'General case' 0 C--O 1.266 1.959 0 CA-C-O 116.279 -1.819 . . . . 29.45 107.555 169.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 17.1 mtt-85 -93.85 112.13 23.93 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 125.011 1.444 . . . . 48.42 110.395 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 94.0 mt -89.24 114.56 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 126.881 2.613 . . . . 34.04 105.942 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' LEU . . . . . 0.649 ' C ' ' CD2' ' A' ' 140' ' ' HIS . 41.8 mt -77.92 50.91 0.91 Allowed 'General case' 0 C--N 1.287 -2.142 0 C-N-CA 125.832 1.653 . . . . 41.1 114.616 -173.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HIS . . . . . 0.649 ' CD2' ' C ' ' A' ' 139' ' ' LEU . 25.7 m-70 -154.27 166.24 33.78 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 125.281 1.613 . . . . 54.75 106.911 179.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.82 129.27 56.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.921 -1.14 . . . . 81.16 107.921 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' PHE . . . . . 0.674 ' HD1' ' SG ' ' A' ' 11' ' ' CYS . 36.6 m-85 -124.93 155.26 39.86 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 128.457 3.598 . . . . 54.32 104.043 174.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLU . . . . . 0.478 ' CD ' ' HE2' ' A' ' 18' ' ' LYS . 19.9 pt-20 -69.92 131.88 45.11 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 127.86 3.225 . . . . 85.59 106.815 177.248 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.8 m -135.18 153.84 51.82 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 125.943 2.027 . . . . 44.34 109.858 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -123.69 2.24 8.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 113.989 -1.46 . . . . 44.52 108.862 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 29.4 m -137.01 138.5 40.56 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 105.575 -2.009 . . . . 34.19 105.575 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 147' ' ' PHE . 13.1 m-85 -127.57 162.15 27.15 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 126.913 2.633 . . . . 37.36 116.917 -177.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 148' ' ' PHE . . . . . 0.495 ' CD1' ' HD2' ' A' ' 149' ' ' PRO . 71.1 t80 -82.33 138.68 45.0 Favored Pre-proline 0 N--CA 1.488 1.47 0 CA-C-N 109.644 -3.434 . . . . 28.65 105.024 179.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 149' ' ' PRO . . . . . 0.495 ' HD2' ' CD1' ' A' ' 148' ' ' PHE . 6.3 Cg_endo -64.26 163.89 24.74 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 125.391 2.258 . . . . 32.01 109.095 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.89 129.52 38.07 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 121.666 -0.646 . . . . 67.41 110.814 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ILE . . . . . 0.897 ' CD1' ' HB2' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -93.39 133.09 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 125.309 1.631 . . . . 57.21 106.607 179.456 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.04 98.84 5.87 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.264 1.026 . . . . 42.52 108.849 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . 0.251 19.1 m-30 -60.48 -6.54 1.64 Allowed 'General case' 0 C--O 1.255 1.355 0 O-C-N 125.383 1.677 . . . . 43.05 114.2 178.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 154' ' ' LYS . . . . . 0.626 ' O ' ' HE2' ' A' ' 157' ' ' LYS . 5.7 mtmm -88.1 -28.92 20.99 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 124.182 0.927 . . . . 48.55 110.199 176.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -93.16 -48.13 6.62 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 123.366 0.666 . . . . 56.27 112.625 -179.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' PHE . . . . . 0.897 ' HB2' ' CD1' ' A' ' 151' ' ' ILE . 69.8 m-85 -89.06 106.12 18.23 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.444 -1.707 . . . . 46.6 110.363 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 157' ' ' LYS . . . . . 0.626 ' HE2' ' O ' ' A' ' 154' ' ' LYS . 0.7 OUTLIER -94.6 134.03 37.6 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.173 -1.417 . . . . 74.73 107.173 177.579 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.8 tp -75.99 126.35 30.83 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 127.359 2.912 . . . . 44.45 105.414 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.19 147.76 29.86 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 126.919 2.637 . . . . 47.58 106.839 174.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 30.0 p -85.96 -15.05 42.79 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 126.358 2.286 . . . . 62.17 109.665 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' GLU . . . . . 0.543 ' HG2' ' N ' ' A' ' 162' ' ' TYR . 1.0 OUTLIER -162.49 152.78 16.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.863 1.316 . . . . 75.94 110.37 177.208 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 162' ' ' TYR . . . . . 0.543 ' N ' ' HG2' ' A' ' 161' ' ' GLU . 32.2 t80 -157.05 134.75 7.06 Favored Pre-proline 0 N--CA 1.437 -1.083 0 CA-C-N 112.484 -2.144 . . . . 46.51 110.816 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 163' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 162' ' ' TYR . 19.1 Cg_endo -51.7 110.84 0.47 Allowed 'Trans proline' 0 C--O 1.259 1.548 0 C-N-CA 124.698 3.598 . . . . 55.84 116.411 178.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.85 4.63 65.08 Favored Glycine 0 C--O 1.259 1.707 0 CA-C-N 113.801 -1.545 . . . . 61.38 113.6 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.78 110.66 57.13 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 108.218 -1.03 . . . . 51.03 108.218 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -53.87 144.69 54.38 Favored 'Trans proline' 0 C--O 1.246 0.886 0 N-CA-C 106.745 -2.06 . . . . 43.91 106.745 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -95.06 -34.03 12.47 Favored 'General case' 0 C--O 1.263 1.77 0 N-CA-C 114.552 1.315 . . . . 55.65 114.552 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -69.38 163.29 25.53 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.555 0.742 . . . . 76.48 111.084 -176.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.3 mt -69.18 132.36 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 112.832 -1.986 . . . . 46.78 105.982 170.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -98.6 163.24 12.74 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 126.574 2.421 . . . . 50.25 106.366 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -141.81 146.48 35.95 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 125.898 1.999 . . . . 63.63 107.646 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 29' ' ' ASN . 69.0 tt0 -169.1 136.44 1.84 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 105.964 -1.865 . . . . 52.73 105.964 179.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 47.66 41.13 13.15 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.712 -2.09 . . . . 48.59 110.137 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 70.59 7.95 62.19 Favored Glycine 0 C--N 1.275 -2.856 0 O-C-N 126.989 2.68 . . . . 35.49 113.302 177.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.43 141.91 21.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 108.409 -0.96 . . . . 42.9 108.409 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -105.62 144.06 32.9 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.475 -1.238 . . . . 36.53 110.483 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -151.53 165.32 34.59 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 125.386 1.679 . . . . 42.82 109.337 173.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.51 146.55 46.37 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.933 -0.766 . . . . 72.61 108.933 174.454 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -93.22 138.5 31.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.86 2.6 . . . . 37.48 106.786 174.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -135.68 149.87 49.4 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.867 1.979 . . . . 45.73 108.075 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 12.2 t -129.58 129.51 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 O-C-N 127.464 2.977 . . . . 30.83 107.811 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.32 153.01 34.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 125.658 1.849 . . . . 33.97 106.408 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' GLN . . . . . 0.446 ' OE1' ' HD3' ' A' ' 132' ' ' ARG . 19.3 tt0 -134.74 132.71 39.13 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.235 2.209 . . . . 59.63 111.446 -176.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -115.24 126.27 54.34 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 127.523 3.014 . . . . 43.49 107.483 174.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.8 m -107.48 125.98 51.94 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 113.509 -1.678 . . . . 62.65 111.809 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' VAL . . . . . 0.62 HG21 ' CA ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.259 1.571 0 CA-C-O 113.13 -3.319 . . . . 75.71 106.797 175.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 190' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' NAP . . . . . 0.731 ' H2N' ' O ' ' A' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . 0.721 ' O ' ' HE1' ' A' ' 111' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 279' ' ' HOH . . . . . 0.438 ' O ' ' HE3' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 295' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . 0.701 ' O ' ' HB ' ' A' ' 118' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 393' ' ' HOH . . . . . 0.761 ' O ' ' HD2' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 584' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . 0.57 ' O ' HG23 ' A' ' 151' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 627' ' ' HOH . . . . . 0.513 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 667' ' ' HOH . . . . . 0.952 ' O ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 670' ' ' HOH . . . . . 0.532 ' O ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 672' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 677' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 681' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 682' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 683' ' ' HOH . . . . . 0.662 ' O ' ' HB3' ' A' ' 59' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 684' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 685' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 705' ' ' HOH . . . . . 0.423 ' O ' ' ND2' ' A' ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.242 0.666 0 N-CA-C 107.992 -1.114 . . . . 74.46 107.992 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . . . -69.99 -34.61 73.56 Favored 'General case' 0 C--O 1.263 1.784 0 N-CA-C 115.344 1.609 . . . . 70.0 115.344 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . 0.76 ' HA ' HD11 ' A' ' 129' ' ' ILE . 24.0 p -166.43 158.77 13.97 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 119.472 -0.891 . . . . 56.25 111.035 -176.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.279 62.8 mt -115.83 160.47 20.11 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.681 1.238 . . . . 36.96 108.52 178.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -131.28 142.33 50.11 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 127.336 2.897 . . . . 32.1 105.418 170.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 m -129.35 144.79 51.37 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 126.828 2.58 . . . . 26.47 104.397 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 134' ' ' PHE . 11.5 tt -136.73 135.59 48.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 127.518 3.011 . . . . 32.78 106.485 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.4 p -150.39 155.2 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 O-C-N 127.125 2.766 . . . . 23.86 108.436 -179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.66 128.03 56.28 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 129.049 3.968 . . . . 30.18 105.291 170.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 m -128.94 149.67 33.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-O 123.035 1.398 . . . . 31.46 111.367 178.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.783 ' SG ' ' CZ3' ' A' ' 24' ' ' TRP 0.522 4.4 p -101.23 -168.96 1.63 Allowed 'General case' 0 C--O 1.251 1.178 0 C-N-CA 115.896 -2.322 . . . . 57.51 108.554 173.499 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . 0.637 2.5 mt-30 -56.66 -33.83 66.76 Favored 'General case' 0 C--O 1.267 1.979 0 N-CA-C 117.667 2.469 . . . . 67.57 117.667 -175.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 705' ' ' HOH . 0.5 OUTLIER -96.44 20.87 9.91 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 116.445 -2.102 . . . . 61.2 109.885 178.429 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . . . 66.71 23.15 10.24 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 119.788 1.176 . . . . 46.56 111.916 -176.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.97 143.08 24.97 Favored Glycine 0 C--O 1.261 1.84 0 N-CA-C 108.186 -1.966 . . . . 28.5 108.186 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.731 ' O ' ' H2N' ' A' ' 191' ' ' NAP . 26.2 pt -123.56 -7.54 7.58 Favored 'Isoleucine or valine' 0 C--O 1.256 1.42 0 N-CA-C 114.744 1.387 . . . . 27.36 114.744 178.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.57 164.83 38.38 Favored Glycine 0 N--CA 1.49 2.248 0 CA-C-O 123.706 1.726 . . . . 31.36 112.787 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HE2' ' CD ' ' A' ' 143' ' ' GLU . 18.9 tptt -153.75 131.78 11.77 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 112.665 -1.767 . . . . 55.71 106.924 178.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 50.06 38.73 17.44 Favored 'General case' 0 C--O 1.274 2.343 0 O-C-N 126.848 2.593 . . . . 61.91 114.184 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.08 5.45 89.17 Favored Glycine 0 C--O 1.264 2.02 0 CA-C-O 118.875 -0.959 . . . . 52.2 114.26 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.504 ' CG ' ' H ' ' A' ' 22' ' ' LEU 0.26 34.1 t30 -140.01 -168.44 2.52 Favored 'General case' 0 C--O 1.249 1.047 0 CA-C-O 117.075 -1.44 . . . . 76.24 110.39 178.514 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.504 ' H ' ' CG ' ' A' ' 21' ' ' ASN . 57.2 mt -80.04 151.77 73.45 Favored Pre-proline 0 N--CA 1.474 0.737 0 O-C-N 126.485 2.366 . . . . 41.74 110.771 176.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.573 ' HG2' ' CZ3' ' A' ' 24' ' ' TRP . 3.4 Cg_endo -72.2 -22.91 21.7 Favored 'Trans proline' 0 CA--C 1.499 -1.269 0 O-C-N 124.928 2.015 . . . . 40.53 113.242 179.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.783 ' CZ3' ' SG ' ' A' ' 11' ' ' CYS . 5.5 p90 -113.44 157.6 40.83 Favored Pre-proline 0 N--CA 1.485 1.287 0 CA-C-N 120.622 1.555 . . . . 38.13 111.085 -177.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -65.46 170.71 10.52 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 N-CA-C 104.938 -2.755 . . . . 38.6 104.938 172.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -67.23 136.68 41.28 Favored 'Trans proline' 0 CA--C 1.494 -1.506 0 O-C-N 123.17 1.09 . . . . 39.9 114.063 -172.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.6 mt -115.21 111.52 21.09 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 104.351 -2.463 . . . . 37.82 104.351 172.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' NE ' ' HE3' ' A' ' 32' ' ' LYS . . . -54.33 -54.16 44.1 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.916 2.01 . . . . 65.44 114.573 -179.208 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.517 ' HB2' ' OE1' ' A' ' 172' ' ' GLU 0.358 67.1 m-80 -65.37 -38.96 91.61 Favored 'General case' 0 C--O 1.259 1.589 0 C-N-CA 126.872 2.069 . . . . 63.49 114.71 -179.123 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -60.41 -47.63 85.26 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.318 -1.488 . . . . 66.76 108.374 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -56.52 -50.38 72.0 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-N 113.789 -1.55 . . . . 65.39 113.33 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HE3' ' NE ' ' A' ' 28' ' ' ARG . 8.6 mttp -61.23 -33.63 73.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 122.313 1.054 . . . . 65.85 108.469 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -64.34 -43.29 95.09 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-O 122.76 1.267 . . . . 41.24 110.621 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -64.46 -48.05 76.74 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 112.994 -1.912 . . . . 32.96 109.011 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.776 ' NE2' HH12 ' A' ' 70' ' ' ARG . 3.9 mm-40 -57.21 -53.56 56.69 Favored 'General case' 0 C--O 1.246 0.902 0 O-C-N 125.319 1.637 . . . . 56.1 111.997 177.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . . . -59.2 -49.93 75.96 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 115.218 -0.901 . . . . 62.14 109.699 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 91.4 mmm -60.31 -46.62 89.23 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 114.083 1.142 . . . . 43.87 114.083 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.9 p -79.59 -25.73 41.47 Favored 'General case' 0 C--O 1.259 1.579 0 O-C-N 120.313 -1.492 . . . . 33.43 115.008 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.9 m -83.86 -34.74 24.55 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 119.946 -1.721 . . . . 45.17 114.283 -178.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.586 ' O ' ' CE ' ' A' ' 111' ' ' MET . 31.9 m -73.77 110.46 8.07 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.982 1.845 . . . . 40.83 115.982 -174.631 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . 0.272 11.0 t -99.62 151.74 20.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 116.939 -1.505 . . . . 53.12 107.159 176.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.648 ' O ' HG23 ' A' ' 43' ' ' VAL . 26.5 m80 -107.99 42.17 1.41 Allowed 'General case' 0 C--O 1.253 1.271 0 O-C-N 126.146 2.154 . . . . 72.1 111.109 -179.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.833 HG11 ' HD2' ' A' ' 46' ' ' LYS . 16.4 t -161.22 130.16 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 O-C-N 125.193 1.558 . . . . 60.93 107.807 -176.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.386 15.0 pt-20 -68.5 135.05 51.02 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 124.02 1.867 . . . . 90.82 110.874 -178.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.59 6.85 88.82 Favored Glycine 0 C--O 1.256 1.492 0 CA-C-N 112.612 -2.085 . . . . 65.81 114.0 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.833 ' HD2' HG11 ' A' ' 43' ' ' VAL . 12.7 mttt -114.62 164.75 13.6 Favored 'General case' 0 N--CA 1.489 1.501 0 CA-C-N 118.077 0.939 . . . . 67.12 108.593 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -133.87 161.31 35.11 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 105.696 -1.964 . . . . 56.79 105.696 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -88.35 155.48 19.68 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 128.576 3.672 . . . . 37.7 106.281 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -113.25 136.55 52.61 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 128.811 3.82 . . . . 35.94 107.402 175.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.3 m -115.14 130.89 68.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 112.76 -2.018 . . . . 32.67 108.202 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 mt -112.96 132.67 61.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 124.926 1.391 . . . . 33.89 109.069 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.3 ptp -150.11 160.27 43.78 Favored 'General case' 0 N--CA 1.498 1.959 0 C-N-CA 116.584 -2.046 . . . . 29.64 108.775 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 176.04 50.66 Favored Glycine 0 CA--C 1.534 1.27 0 O-C-N 126.375 2.297 . . . . 30.12 107.999 176.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.596 ' NZ ' ' O3X' ' A' ' 191' ' ' NAP . 20.4 ttpt -72.72 -43.37 63.08 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 125.079 1.352 . . . . 31.93 110.573 -172.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.952 ' HD2' ' O ' ' A' ' 667' ' ' HOH . 38.6 tttt -67.24 -39.19 86.14 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 125.779 1.924 . . . . 55.03 108.575 -177.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.1 m -63.12 -46.57 86.68 Favored 'General case' 0 C--O 1.248 1.007 0 C-N-CA 119.491 -0.884 . . . . 29.08 111.513 177.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.594 ' CE2' ' HD3' ' A' ' 65' ' ' ARG . 34.1 t-105 -53.97 -47.16 71.64 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.076 0.465 . . . . 32.14 110.829 177.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.252 56.0 m-85 -71.36 -15.34 62.38 Favored 'General case' 0 C--O 1.253 1.242 0 CA-C-N 114.152 -1.385 . . . . 36.3 110.924 -177.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . 0.662 ' HB3' ' O ' ' A' ' 683' ' ' HOH . 21.4 p -76.44 -14.76 60.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 116.502 -2.079 . . . . 34.92 109.619 179.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 21.9 mt -82.84 131.71 53.55 Favored Pre-proline 0 N--CA 1.491 1.605 0 C-N-CA 118.403 -1.319 . . . . 35.48 109.117 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -49.6 130.73 26.79 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 O-C-N 126.223 2.696 . . . . 32.6 105.579 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -51.02 -43.68 60.89 Favored 'General case' 0 N--CA 1.436 -1.133 0 C-N-CA 125.784 1.634 . . . . 77.48 113.83 -175.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.363 0.0 OUTLIER -67.31 -21.16 65.69 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 114.427 -1.261 . . . . 55.15 110.545 -179.086 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -91.67 14.99 13.61 Favored 'General case' 0 C--O 1.273 2.337 0 CA-C-O 115.91 -1.995 . . . . 60.12 113.031 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.594 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 27.5 mtt180 -114.44 150.21 43.44 Favored Pre-proline 0 N--CA 1.495 1.817 0 CA-C-N 120.739 1.609 . . . . 40.06 110.913 -178.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 72' ' ' ASN . 33.1 Cg_endo -77.42 164.48 86.46 Favored 'Cis proline' 0 C--N 1.322 -0.841 0 O-C-N 123.32 1.168 . . . . 33.33 109.135 -8.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.6 mt -53.8 117.22 3.0 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 105.68 -1.97 . . . . 34.37 105.68 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -54.08 141.24 29.27 Favored 'General case' 0 C--N 1.313 -1.019 0 O-C-N 126.512 2.383 . . . . 74.95 111.071 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 67.31 16.05 10.04 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 126.347 2.279 . . . . 59.51 114.909 174.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.776 HH12 ' NE2' ' A' ' 35' ' ' GLN . 18.8 mtm180 -136.23 151.72 49.99 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 125.737 1.898 . . . . 37.76 106.427 177.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.532 HD12 HG22 ' A' ' 109' ' ' VAL . 55.7 mt -84.44 112.76 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 105.93 -1.878 . . . . 46.31 105.93 173.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.597 HD22 ' N ' ' A' ' 72' ' ' ASN . 0.4 OUTLIER -85.85 118.72 25.51 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 126.614 1.965 . . . . 32.51 112.236 176.987 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.2 mt -117.17 126.33 74.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 O-C-N 125.296 1.622 . . . . 33.29 107.034 174.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.45 141.36 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 O-C-N 126.735 2.522 . . . . 36.14 109.984 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 90' ' ' SER . 57.0 mt -104.83 135.63 45.83 Favored 'General case' 0 C--N 1.31 -1.109 0 O-C-N 125.758 1.911 . . . . 33.4 108.351 177.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.4 t -164.08 137.25 5.22 Favored 'General case' 0 C--N 1.306 -1.3 0 N-CA-C 106.268 -1.753 . . . . 36.82 106.268 178.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.761 ' HD2' ' O ' ' A' ' 393' ' ' HOH . 23.0 mtt180 -90.97 -18.01 25.39 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 128.644 3.715 . . . . 80.54 107.075 174.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . 0.287 24.0 mt-10 -95.82 -36.93 10.96 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 118.663 2.838 . . . . 44.71 118.663 -179.568 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.3 mt -73.65 151.75 40.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 121.232 1.833 . . . . 46.23 110.915 -177.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -96.35 -33.23 12.01 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-N 110.753 -2.93 . . . . 87.9 109.79 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.565 ' C ' HD23 ' A' ' 89' ' ' LEU . . . -136.44 157.74 46.08 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 124.596 1.158 . . . . 57.7 111.164 179.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' A' ' 83' ' ' PRO . . . -59.03 135.94 87.72 Favored Pre-proline 0 N--CA 1.472 0.651 0 N-CA-C 105.83 -1.915 . . . . 48.22 105.83 178.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 82' ' ' ALA . 7.3 Cg_exo -65.46 149.89 87.42 Favored 'Trans proline' 0 C--N 1.313 -1.296 0 N-CA-C 104.038 -3.101 . . . . 42.92 104.038 178.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -51.62 119.99 4.74 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 125.719 1.887 . . . . 62.4 110.577 -178.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 104.98 -22.45 33.41 Favored Glycine 0 C--O 1.251 1.191 0 C-N-CA 125.289 1.423 . . . . 44.27 114.878 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.01 147.51 34.81 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.13 -1.433 . . . . 41.09 107.13 -179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.426 ' ND1' ' HA ' ' A' ' 71' ' ' ILE . 36.5 m80 -78.97 -43.41 24.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 127.785 3.178 . . . . 40.41 111.635 177.303 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -148.76 153.78 38.66 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 119.379 0.99 . . . . 56.24 111.012 -177.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.565 HD23 ' C ' ' A' ' 81' ' ' GLU . 2.6 tp -121.89 135.99 54.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 129.031 3.957 . . . . 47.69 103.662 -179.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 49.6 m -135.13 146.83 49.18 Favored 'General case' 0 C--N 1.311 -1.098 0 O-C-N 127.849 3.218 . . . . 45.87 107.401 -179.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 279' ' ' HOH 0.295 1.4 mttp -88.12 -12.34 44.36 Favored 'General case' 0 CA--C 1.495 -1.161 0 O-C-N 127.341 2.9 . . . . 68.99 113.475 -177.407 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 p -160.1 171.2 19.71 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.927 -1.508 . . . . 34.79 106.927 174.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.37 -40.7 96.35 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 127.661 3.1 . . . . 42.23 108.036 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -54.47 -48.69 71.5 Favored 'General case' 0 C--O 1.255 1.378 0 O-C-N 126.281 2.238 . . . . 57.45 110.809 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -58.55 -45.96 87.85 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 125.29 1.619 . . . . 59.35 110.485 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.47 81.56 Favored 'General case' 0 C--O 1.258 1.537 0 CA-C-N 114.404 -1.271 . . . . 44.28 108.094 178.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . 0.343 56.8 mt -58.47 -50.0 75.3 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 123.579 1.656 . . . . 47.28 109.668 -177.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.52 -57.87 7.87 Favored 'General case' 0 C--O 1.26 1.637 0 CA-C-N 114.117 -1.402 . . . . 52.98 109.624 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 tp -46.46 -47.7 19.11 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 122.39 1.09 . . . . 46.45 110.812 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.7 mt -57.65 -35.02 69.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 118.463 -0.78 . . . . 57.83 111.15 -176.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -73.46 -22.16 60.25 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 126.518 2.386 . . . . 71.74 108.007 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . 0.28 0.5 OUTLIER -46.51 152.27 0.9 Allowed Pre-proline 0 N--CA 1.477 0.888 0 O-C-N 126.445 2.341 . . . . 74.16 107.442 178.786 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -62.35 -48.15 8.37 Favored 'Trans proline' 0 C--N 1.32 -0.954 0 C-N-CA 122.906 2.404 . . . . 78.88 111.596 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -50.48 -39.72 48.99 Favored 'General case' 0 C--O 1.243 0.737 0 O-C-N 124.981 1.425 . . . . 84.1 111.433 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -54.34 4.05 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 125.929 1.692 . . . . 77.35 114.526 -177.112 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . . . -36.26 -45.42 0.46 Allowed 'General case' 0 C--O 1.248 1.001 0 CA-C-N 115.772 -0.649 . . . . 72.93 112.023 -175.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' SER . . . . . 0.576 ' O ' ' HE2' ' A' ' 46' ' ' LYS . 36.7 p -72.28 -27.37 62.43 Favored 'General case' 0 C--O 1.262 1.73 0 N-CA-C 114.116 1.154 . . . . 75.8 114.116 -176.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.883 ' HZ2' ' HB3' ' A' ' 108' ' ' LYS . 3.1 ttpp -94.63 -4.8 47.04 Favored 'General case' 0 C--O 1.26 1.63 0 N-CA-C 116.953 2.205 . . . . 75.76 116.953 -175.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.532 HG22 HD12 ' A' ' 71' ' ' ILE . 50.3 t -117.36 128.66 74.62 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 116.157 1.91 . . . . 46.69 116.157 -172.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -90.84 -85.55 0.22 Allowed 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 113.626 -1.625 . . . . 43.41 108.905 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' MET . . . . . 0.721 ' HE1' ' O ' ' A' ' 240' ' ' HOH . 1.7 mtm -103.4 149.21 25.01 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 125.306 2.479 . . . . 52.26 114.751 -179.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 70.2 t -107.9 120.77 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 CA-C-N 113.137 -1.847 . . . . 30.65 109.236 175.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.8 m95 -117.93 131.39 56.52 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 126.683 2.489 . . . . 32.55 110.028 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.403 HG23 HG12 ' A' ' 120' ' ' VAL . 42.2 mm -94.99 121.33 45.47 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-O 114.766 -2.54 . . . . 30.13 104.997 174.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . 0.283 4.4 m -113.5 18.94 7.34 Favored 'Isoleucine or valine' 0 C--O 1.269 2.121 0 O-C-N 127.718 3.136 . . . . 24.34 115.559 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 90.39 -176.92 42.14 Favored Glycine 0 N--CA 1.483 1.771 0 O-C-N 123.778 0.674 . . . . 24.81 113.227 171.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -79.55 -153.46 7.99 Favored Glycine 0 N--CA 1.436 -1.344 1 C-N-CA 132.736 4.969 . . . . 25.18 115.655 4.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' THR . . . . . 0.701 ' HB ' ' O ' ' A' ' 318' ' ' HOH . 68.8 m -44.59 -61.12 1.67 Allowed 'General case' 0 C--O 1.248 1.024 0 C-N-CA 127.293 2.237 . . . . 29.25 113.46 -174.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.83 -39.0 73.41 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 113.66 -1.609 . . . . 31.77 111.15 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.403 HG12 HG23 ' A' ' 114' ' ' ILE . 33.3 t -68.81 -43.6 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 120.143 -0.623 . . . . 26.71 110.642 -178.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -57.44 -50.04 74.3 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-N 113.909 -1.496 . . . . 28.97 108.022 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.11 -50.9 65.81 Favored 'General case' 0 C--O 1.244 0.815 0 O-C-N 126.075 2.109 . . . . 60.84 115.591 -177.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.46 31.51 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 113.635 -1.621 . . . . 34.56 108.258 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 125.15 1.531 . . . . 31.72 111.213 -177.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . 0.33 69.6 mtm -63.97 -31.9 73.25 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 112.806 0.669 . . . . 57.03 112.806 -178.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -76.76 -22.1 54.26 Favored 'General case' 0 C--O 1.252 1.19 0 N-CA-C 114.884 1.439 . . . . 63.03 114.884 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . . . -64.58 134.45 96.02 Favored Pre-proline 0 N--CA 1.486 1.358 0 CA-C-N 120.271 1.396 . . . . 55.26 108.121 178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -82.2 69.07 7.63 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 N-CA-C 106.244 -2.252 . . . . 48.29 106.244 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.76 HD11 ' HA ' ' A' ' 3' ' ' SER . 0.1 OUTLIER -140.49 153.99 22.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.583 -2.099 . . . . 54.67 109.272 178.424 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.526 ' O ' HG13 ' A' ' 129' ' ' ILE . 3.6 m-20 -54.41 132.39 44.18 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 127.8 3.187 . . . . 59.53 106.111 178.276 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -153.02 134.8 14.59 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 112.31 -2.223 . . . . 34.16 111.06 -174.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.446 ' HD3' ' OE1' ' A' ' 183' ' ' GLN . 34.7 mtm-85 -116.32 133.0 56.51 Favored 'General case' 0 C--O 1.248 0.98 0 CA-C-N 113.458 -1.701 . . . . 62.01 109.166 174.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.481 ' HG ' HG23 ' A' ' 135' ' ' VAL . 27.4 tp -119.41 118.38 31.0 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 112.969 -1.923 . . . . 30.68 107.871 -176.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' A' ' 7' ' ' ILE . 63.9 m-85 -102.42 107.45 18.44 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 127.788 3.18 . . . . 33.58 105.853 -179.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.481 HG23 ' HG ' ' A' ' 133' ' ' LEU . 62.5 t -109.66 130.08 63.4 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 O-C-N 127.473 2.983 . . . . 32.11 112.372 -179.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.7 m -101.26 109.95 21.89 Favored 'General case' 0 C--O 1.266 1.959 0 CA-C-O 116.279 -1.819 . . . . 29.45 107.555 169.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 17.1 mtt-85 -93.85 112.13 23.93 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 125.011 1.444 . . . . 48.42 110.395 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 94.0 mt -89.24 114.56 27.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 126.881 2.613 . . . . 34.04 105.942 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.649 ' C ' ' CD2' ' A' ' 140' ' ' HIS . 41.8 mt -77.92 50.91 0.91 Allowed 'General case' 0 C--N 1.287 -2.142 0 C-N-CA 125.832 1.653 . . . . 41.1 114.616 -173.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.649 ' CD2' ' C ' ' A' ' 139' ' ' LEU . 25.7 m-70 -154.27 166.24 33.78 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 125.281 1.613 . . . . 54.75 106.911 179.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.82 129.27 56.37 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.921 -1.14 . . . . 81.16 107.921 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.674 ' HD1' ' SG ' ' A' ' 11' ' ' CYS . 36.6 m-85 -124.93 155.26 39.86 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 128.457 3.598 . . . . 54.32 104.043 174.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.478 ' CD ' ' HE2' ' A' ' 18' ' ' LYS . 19.9 pt-20 -69.92 131.88 45.11 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 127.86 3.225 . . . . 85.59 106.815 177.248 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.8 m -135.18 153.84 51.82 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 125.943 2.027 . . . . 44.34 109.858 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -123.69 2.24 8.86 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 113.989 -1.46 . . . . 44.52 108.862 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 29.4 m -137.01 138.5 40.56 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 105.575 -2.009 . . . . 34.19 105.575 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 147' ' ' PHE . 13.1 m-85 -127.57 162.15 27.15 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 126.913 2.633 . . . . 37.36 116.917 -177.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.495 ' CD1' ' HD2' ' A' ' 149' ' ' PRO . 71.1 t80 -82.33 138.68 45.0 Favored Pre-proline 0 N--CA 1.488 1.47 0 CA-C-N 109.644 -3.434 . . . . 28.65 105.024 179.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.495 ' HD2' ' CD1' ' A' ' 148' ' ' PHE . 6.3 Cg_endo -64.26 163.89 24.74 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 125.391 2.258 . . . . 32.01 109.095 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -73.89 129.52 38.07 Favored 'General case' 0 C--N 1.313 -1.003 0 O-C-N 121.666 -0.646 . . . . 67.41 110.814 177.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.897 ' CD1' ' HB2' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -93.39 133.09 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 125.309 1.631 . . . . 57.21 106.607 179.456 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.04 98.84 5.87 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.264 1.026 . . . . 42.52 108.849 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . 0.251 19.1 m-30 -60.48 -6.54 1.64 Allowed 'General case' 0 C--O 1.255 1.355 0 O-C-N 125.383 1.677 . . . . 43.05 114.2 178.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.626 ' O ' ' HE2' ' A' ' 157' ' ' LYS . 5.7 mtmm -88.1 -28.92 20.99 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 124.182 0.927 . . . . 48.55 110.199 176.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -93.16 -48.13 6.62 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 123.366 0.666 . . . . 56.27 112.625 -179.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.897 ' HB2' ' CD1' ' A' ' 151' ' ' ILE . 69.8 m-85 -89.06 106.12 18.23 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.444 -1.707 . . . . 46.6 110.363 -178.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.626 ' HE2' ' O ' ' A' ' 154' ' ' LYS . 0.7 OUTLIER -94.6 134.03 37.6 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 107.173 -1.417 . . . . 74.73 107.173 177.579 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.8 tp -75.99 126.35 30.83 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 127.359 2.912 . . . . 44.45 105.414 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 32.7 mt -81.19 147.76 29.86 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 126.919 2.637 . . . . 47.58 106.839 174.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 30.0 p -85.96 -15.05 42.79 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 126.358 2.286 . . . . 62.17 109.665 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.543 ' HG2' ' N ' ' A' ' 162' ' ' TYR . 1.0 OUTLIER -162.49 152.78 16.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.863 1.316 . . . . 75.94 110.37 177.208 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.543 ' N ' ' HG2' ' A' ' 161' ' ' GLU . 32.2 t80 -157.05 134.75 7.06 Favored Pre-proline 0 N--CA 1.437 -1.083 0 CA-C-N 112.484 -2.144 . . . . 46.51 110.816 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 162' ' ' TYR . 19.1 Cg_endo -51.7 110.84 0.47 Allowed 'Trans proline' 0 C--O 1.259 1.548 0 C-N-CA 124.698 3.598 . . . . 55.84 116.411 178.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.85 4.63 65.08 Favored Glycine 0 C--O 1.259 1.707 0 CA-C-N 113.801 -1.545 . . . . 61.38 113.6 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 64.6 t -110.78 110.66 57.13 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 108.218 -1.03 . . . . 51.03 108.218 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -53.87 144.69 54.38 Favored 'Trans proline' 0 C--O 1.246 0.886 0 N-CA-C 106.745 -2.06 . . . . 43.91 106.745 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -95.06 -34.03 12.47 Favored 'General case' 0 C--O 1.263 1.77 0 N-CA-C 114.552 1.315 . . . . 55.65 114.552 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -69.38 163.29 25.53 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 123.555 0.742 . . . . 76.48 111.084 -176.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.3 mt -69.18 132.36 33.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 CA-C-N 112.832 -1.986 . . . . 46.78 105.982 170.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -98.6 163.24 12.74 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 126.574 2.421 . . . . 50.25 106.366 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -141.81 146.48 35.95 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 125.898 1.999 . . . . 63.63 107.646 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 29' ' ' ASN . 69.0 tt0 -169.1 136.44 1.84 Allowed 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 105.964 -1.865 . . . . 52.73 105.964 179.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 47.66 41.13 13.15 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 115.712 -2.09 . . . . 48.59 110.137 -178.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 70.59 7.95 62.19 Favored Glycine 0 C--N 1.275 -2.856 0 O-C-N 126.989 2.68 . . . . 35.49 113.302 177.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.43 141.91 21.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 108.409 -0.96 . . . . 42.9 108.409 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -105.62 144.06 32.9 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 114.475 -1.238 . . . . 36.53 110.483 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -151.53 165.32 34.59 Favored 'General case' 0 C--O 1.249 1.072 0 O-C-N 125.386 1.679 . . . . 42.82 109.337 173.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.51 146.55 46.37 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.933 -0.766 . . . . 72.61 108.933 174.454 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -93.22 138.5 31.56 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 126.86 2.6 . . . . 37.48 106.786 174.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -135.68 149.87 49.4 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 125.867 1.979 . . . . 45.73 108.075 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 12.2 t -129.58 129.51 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 O-C-N 127.464 2.977 . . . . 30.83 107.811 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.32 153.01 34.69 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 125.658 1.849 . . . . 33.97 106.408 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.446 ' OE1' ' HD3' ' A' ' 132' ' ' ARG . 19.3 tt0 -134.74 132.71 39.13 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 126.235 2.209 . . . . 59.63 111.446 -176.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -115.24 126.27 54.34 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 127.523 3.014 . . . . 43.49 107.483 174.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.8 m -107.48 125.98 51.94 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 113.509 -1.678 . . . . 62.65 111.809 179.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' VAL . . . . . 0.62 HG21 ' CA ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.259 1.571 0 CA-C-O 113.13 -3.319 . . . . 75.71 106.797 175.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' NAP . . . . . 0.731 ' H2N' ' O ' ' A' ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . 0.721 ' O ' ' HE1' ' A' ' 111' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 265' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 279' ' ' HOH . . . . . 0.438 ' O ' ' HE3' ' A' ' 91' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 295' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . 0.701 ' O ' ' HB ' ' A' ' 118' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 392' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 393' ' ' HOH . . . . . 0.761 ' O ' ' HD2' ' A' ' 77' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 584' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 585' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . 0.57 ' O ' HG23 ' A' ' 151' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 619' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 624' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 627' ' ' HOH . . . . . 0.513 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 637' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 644' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 647' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 648' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 650' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 652' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 655' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 667' ' ' HOH . . . . . 0.952 ' O ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 670' ' ' HOH . . . . . 0.532 ' O ' ' HD2' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 672' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 677' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 681' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 682' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 683' ' ' HOH . . . . . 0.662 ' O ' ' HB3' ' A' ' 59' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 684' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 685' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 705' ' ' HOH . . . . . 0.423 ' O ' ' ND2' ' A' ' 13' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_