data_2zga_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 2zga _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' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.618 0 CA-C-O 123.475 1.364 . . . . 48.299999999999997 115.268 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.39 136.0 39.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.266 -1.333 . . . . 50.700000000000003 107.942 162.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 mt -127.93 117.39 45.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.523 -1.217 . . . . 37.890000000000001 109.823 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.2 p -81.53 171.7 14.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.649 1.214 . . . . 31.43 109.418 173.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.4 mt -119.85 22.9 11.35 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 114.667 1.358 . . . . 28.129999999999999 114.667 -170.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -66.51 -24.28 66.37 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.73 -1.231 . . . . 32.590000000000003 112.152 172.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -119.4 164.65 15.4 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.438 0.695 . . . . 72.109999999999999 109.625 170.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' NH2' ' N1 ' ' A' 2501 ' ' YDP . 95.8 mtt180 -59.75 139.19 90.03 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 118.411 -1.316 . . . . 41.240000000000002 110.682 172.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.49 74.06 5.57 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 121.61 1.54 . . . . 23.07 112.073 -178.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.84 129.32 37.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.567 -1.197 . . . . 44.299999999999997 111.909 -177.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.46 158.41 36.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 106.774 -1.565 . . . . 27.940000000000001 106.774 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -84.62 140.64 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 123.272 1.511 . . . . 38.939999999999998 110.326 169.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.99 156.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.214 -1.357 . . . . 24.710000000000001 108.113 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -124.72 124.1 41.42 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 125.736 1.898 . . . . 31.120000000000001 106.111 171.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 tt -148.6 137.88 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 125.843 1.964 . . . . 30.579999999999998 109.679 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.17 33.55 57.91 Favored Glycine 0 C--N 1.319 -0.401 0 O-C-N 126.523 2.389 . . . . 24.870000000000001 112.84 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.42 9.64 81.7 Favored Glycine 0 N--CA 1.434 -1.443 0 C-N-CA 126.608 2.051 . . . . 21.280000000000001 117.407 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -119.34 146.66 45.12 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.19 -1.771 . . . . 28.300000000000001 111.754 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.7 129.55 37.65 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 126.101 2.125 . . . . 34.640000000000001 111.802 174.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -143.69 165.43 27.67 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.346 1.029 . . . . 34.640000000000001 111.785 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -105.36 142.25 35.44 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.586 1.178 . . . . 48.340000000000003 108.767 172.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.93 157.63 43.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.37 1.669 . . . . 20.5 109.097 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.6 tp -98.22 125.01 43.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.69 -1.595 . . . . 34.469999999999999 112.58 -175.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.5 mt -74.15 114.36 12.39 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 105.939 -1.875 . . . . 25.890000000000001 105.939 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -124.38 96.26 4.84 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.457 -1.402 . . . . 33.149999999999999 113.989 -166.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -71.8 -10.85 60.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.411 -0.916 . . . . 19.309999999999999 110.933 -174.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.55 1.02 75.1 Favored Glycine 0 N--CA 1.438 -1.21 0 O-C-N 120.331 -1.481 . . . . 24.170000000000002 113.902 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.25 126.05 52.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 125.636 1.433 . . . . 20.440000000000001 108.945 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.06 -37.65 78.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 125.559 1.787 . . . . 28.710000000000001 111.322 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -117.03 167.39 11.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.432 2.332 . . . . 35.640000000000001 113.119 -170.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.4 m -106.63 126.37 52.18 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 107.812 -1.181 . . . . 26.460000000000001 107.812 -176.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.6 t -131.61 123.55 52.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 O-C-N 124.474 1.109 . . . . 33.07 109.67 -170.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -121.94 143.26 49.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 117.056 -1.45 . . . . 41.259999999999998 111.147 -174.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' CB ' ' O ' ' A' 3020 ' ' HOH . . . -55.56 160.33 2.5 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 125.642 1.839 . . . . 28.98 111.139 176.117 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . 0.566 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 20.1 tp10 -50.37 135.29 22.2 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 116.463 -2.095 . . . . 51.009999999999998 112.503 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.4 ptm -162.43 164.5 27.14 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 112.139 -2.301 . . . . 33.049999999999997 111.007 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -92.18 115.86 28.44 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 113.772 -1.558 . . . . 37.170000000000002 111.541 -177.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.3 mt -125.75 136.94 29.07 Favored Pre-proline 0 N--CA 1.446 -0.637 0 O-C-N 124.597 1.185 . . . . 41.380000000000003 111.133 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.95 149.83 33.43 Favored 'Trans proline' 0 C--N 1.326 -0.634 0 CA-C-O 118.482 -0.716 . . . . 42.079999999999998 110.795 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.8 -174.15 23.24 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 118.964 2.346 . . . . 34.039999999999999 118.964 166.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . . . -71.61 142.44 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.609 1.564 . . . . 56.039999999999999 111.521 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . 1.082 ' CZ3' ' CD ' ' A' ' 44' ' ' PRO . 7.8 p-90 -146.03 164.05 33.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.455 1.097 . . . . 73.200000000000003 110.768 175.933 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . 0.803 ' N ' ' CE3' ' A' ' 42' ' ' TRP . 18.2 mtpt -126.45 133.16 24.7 Favored Pre-proline 0 C--N 1.321 -0.631 0 C-N-CA 125.764 1.626 . . . . 55.030000000000001 110.227 -178.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . 1.082 ' CD ' ' CZ3' ' A' ' 42' ' ' TRP . 16.6 Cg_exo -68.41 140.02 47.0 Favored 'Trans proline' 0 C--N 1.32 -0.973 0 O-C-N 124.228 1.646 . . . . 47.450000000000003 110.513 177.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 0.581 ' NZ ' ' OE1' ' A' ' 58' ' ' GLN . 19.2 tttt -154.07 148.49 26.12 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 123.201 1.477 . . . . 49.659999999999997 109.415 -169.993 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.3 mtm -118.11 124.34 47.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 120.429 -1.419 . . . . 157.91 108.666 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.9 pt -119.41 143.99 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 125.103 2.382 . . . . 49.409999999999997 112.337 175.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.66 168.18 13.55 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 113.396 -1.729 . . . . 45.109999999999999 112.512 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 50' ' ' ILE . . . -174.77 -164.35 29.44 Favored Glycine 0 C--N 1.317 -0.5 0 N-CA-C 108.097 -2.001 . . . . 51.799999999999997 108.097 172.108 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 49' ' ' GLY . 7.7 mt -45.57 134.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 116.548 -2.061 . . . . 58.549999999999997 109.658 178.055 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.56 -24.99 30.01 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 116.978 1.551 . . . . 42.840000000000003 116.978 170.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.65 -149.78 21.2 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 124.058 1.921 . . . . 37.450000000000003 112.731 -178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . . . -130.95 159.14 38.32 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 119.577 -2.131 . . . . 48.710000000000001 111.488 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 pt -121.25 154.61 25.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 113.688 -1.597 . . . . 41.57 111.022 172.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . -86.82 132.89 33.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.713 -1.137 . . . . 44.350000000000001 109.083 167.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' LYS . 18.5 m -122.17 165.47 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.804 1.315 . . . . 44.32 110.428 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . 0.566 ' NH1' ' OE1' ' A' ' 35' ' ' GLU . 87.7 mtm-85 -107.28 125.63 51.4 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.142 -1.058 . . . . 57.030000000000001 108.142 166.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . 0.581 ' OE1' ' NZ ' ' A' ' 45' ' ' LYS . 41.7 tt0 -96.47 111.99 23.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 124.334 2.016 . . . . 40.270000000000003 114.276 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.85 130.05 55.57 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 107.238 -1.393 . . . . 41.420000000000002 107.238 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -106.5 164.16 12.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 118.481 -0.771 . . . . 51.270000000000003 110.8 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . 0.564 ' N ' ' OE1' ' A' ' 61' ' ' GLN . 8.7 mp0 47.5 52.55 12.25 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 127.517 3.011 . . . . 88.329999999999998 111.478 -175.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.5 mm -99.17 132.51 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 116.751 -1.98 . . . . 31.359999999999999 108.502 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -79.91 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 123.108 1.432 . . . . 30.489999999999998 111.163 175.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.4 tt -135.93 138.19 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 119.58 -1.95 . . . . 52.509999999999998 108.499 175.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -107.66 119.86 40.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 102.969 -2.974 . . . . 55.549999999999997 102.969 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mt -109.02 118.91 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.392 -0.966 . . . . 33.479999999999997 108.392 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.4 t 43.6 32.81 0.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.488 1.117 . . . . 56.350000000000001 111.014 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.69 -8.39 63.79 Favored Glycine 0 C--N 1.338 0.656 0 O-C-N 120.672 -1.268 . . . . 60.189999999999998 112.73 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -98.34 128.86 44.95 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.167 -1.196 . . . . 44.670000000000002 110.34 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -83.21 142.45 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 118.938 -1.105 . . . . 58.369999999999997 113.084 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -146.06 156.61 43.59 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 124.782 1.301 . . . . 31.43 109.228 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.15 136.81 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 119.509 1.049 . . . . 40.340000000000003 108.736 173.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.31 -169.78 42.82 Favored Glycine 0 CA--C 1.502 -0.77 0 CA-C-O 124.935 2.408 . . . . 26.140000000000001 112.051 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 m -77.09 137.29 38.84 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.313 -1.444 . . . . 32.969999999999999 113.004 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.9 t -132.15 125.21 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 124.368 2.032 . . . . 32.329999999999998 111.482 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.4 mt -91.15 142.8 27.35 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 120.847 -1.158 . . . . 42.380000000000003 108.278 178.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.29 120.5 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 119.576 -1.952 . . . . 33.18 111.29 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.67 -164.86 34.74 Favored Glycine 0 N--CA 1.462 0.369 0 C-N-CA 117.921 -2.085 . . . . 40.579999999999998 111.658 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.18 37.94 0.41 Allowed 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 124.134 3.222 . . . . 55.359999999999999 115.714 -168.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.3 t -67.38 152.46 96.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 119.075 -1.05 . . . . 41.280000000000001 109.809 175.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.7 -30.17 22.97 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 O-C-N 123.397 1.209 . . . . 49.939999999999998 111.596 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.93 156.15 14.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.117 -0.947 . . . . 46.149999999999999 110.148 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.91 126.25 29.18 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.632 -0.667 . . . . 27.149999999999999 110.152 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.2 mt -118.34 127.67 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 O-C-N 124.008 0.817 . . . . 32.219999999999999 113.134 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.7 mm -96.46 110.88 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 125.77 1.628 . . . . 29.59 108.481 169.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.72 -179.34 34.85 Favored Glycine 0 N--CA 1.46 0.256 0 O-C-N 126.319 2.262 . . . . 19.539999999999999 113.563 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -60.71 -29.11 69.15 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.05 -1.264 . . . . 27.370000000000001 113.005 -170.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -56.63 -29.29 62.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 120.715 -1.241 . . . . 25.920000000000002 111.722 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.0 mt -103.98 -30.73 10.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 118.177 -0.916 . . . . 30.34 110.378 178.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.34 -35.15 73.33 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 120.044 1.293 . . . . 23.280000000000001 111.459 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -63.37 -37.59 87.85 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.867 -1.133 . . . . 27.84 110.406 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -67.38 -27.73 67.34 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 124.548 1.155 . . . . 35.100000000000001 114.081 -177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.64 11.08 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 118.58 -2.575 . . . . 28.18 113.138 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.89 27.75 66.16 Favored Glycine 0 C--O 1.218 -0.875 0 CA-C-O 124.2 2.0 . . . . 26.059999999999999 115.014 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.95 132.2 35.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 119.636 -2.096 . . . . 27.629999999999999 112.721 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.9 p -127.21 161.59 28.17 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 125.093 1.496 . . . . 28.149999999999999 111.631 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.6 mt -100.32 142.51 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 126.693 2.495 . . . . 26.600000000000001 109.631 168.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -138.76 131.78 29.66 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.25 0.968 . . . . 57.869999999999997 110.316 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.2 p90 . . . . . 0 C--O 1.246 0.881 0 O-C-N 125.231 1.582 . . . . 43.270000000000003 110.66 167.478 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2501 ' ' YDP . . . . . 0.426 ' N1 ' ' NH2' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3020 ' ' HOH . . . . . 0.566 ' O ' ' CB ' ' A' ' 34' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 3021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.618 0 CA-C-O 123.475 1.364 . . . . 48.3 115.268 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.39 136.0 39.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.266 -1.333 . . . . 50.7 107.942 162.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 mt -127.93 117.39 45.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.523 -1.217 . . . . 37.89 109.823 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.2 p -81.53 171.7 14.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.649 1.214 . . . . 31.43 109.418 173.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.4 mt -119.85 22.9 11.35 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 114.667 1.358 . . . . 28.13 114.667 -170.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -66.51 -24.28 66.37 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.73 -1.231 . . . . 32.59 112.152 172.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -119.4 164.65 15.4 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.438 0.695 . . . . 72.11 109.625 170.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' NH2' ' N1 ' ' A' 2501 ' ' YDP . 95.8 mtt180 -59.75 139.19 90.03 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 118.411 -1.316 . . . . 41.24 110.682 172.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . 0.623 ' HD2' HD11 ' A' ' 23' ' ' LEU . 84.6 Cg_endo -81.49 74.06 5.57 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 121.61 1.54 . . . . 23.07 112.073 -178.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.84 129.32 37.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.567 -1.197 . . . . 44.3 111.909 -177.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.46 158.41 36.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 106.774 -1.565 . . . . 27.94 106.774 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -84.62 140.64 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 123.272 1.511 . . . . 38.94 110.326 169.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.99 156.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.214 -1.357 . . . . 24.71 108.113 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -124.72 124.1 41.42 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 125.736 1.898 . . . . 31.12 106.111 171.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 tt -148.6 137.88 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 125.843 1.964 . . . . 30.58 109.679 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.17 33.55 57.91 Favored Glycine 0 C--N 1.319 -0.401 0 O-C-N 126.523 2.389 . . . . 24.87 112.84 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.42 9.64 81.7 Favored Glycine 0 N--CA 1.434 -1.443 0 C-N-CA 126.608 2.051 . . . . 21.28 117.407 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -119.34 146.66 45.12 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.19 -1.771 . . . . 28.3 111.754 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.7 129.55 37.65 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 126.101 2.125 . . . . 34.64 111.802 174.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -143.69 165.43 27.67 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.346 1.029 . . . . 34.64 111.785 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -105.36 142.25 35.44 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.586 1.178 . . . . 48.34 108.767 172.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.93 157.63 43.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.37 1.669 . . . . 20.5 109.097 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 9' ' ' PRO . 35.6 tp -98.22 125.01 43.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.69 -1.595 . . . . 34.47 112.58 -175.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.5 mt -74.15 114.36 12.39 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 105.939 -1.875 . . . . 25.89 105.939 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -124.38 96.26 4.84 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.457 -1.402 . . . . 33.15 113.989 -166.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -71.8 -10.85 60.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.411 -0.916 . . . . 19.31 110.933 -174.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.55 1.02 75.1 Favored Glycine 0 N--CA 1.438 -1.21 0 O-C-N 120.331 -1.481 . . . . 24.17 113.902 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.25 126.05 52.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 125.636 1.433 . . . . 20.44 108.945 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.06 -37.65 78.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 125.559 1.787 . . . . 28.71 111.322 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -117.03 167.39 11.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.432 2.332 . . . . 35.64 113.119 -170.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.4 m -106.63 126.37 52.18 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 107.812 -1.181 . . . . 26.46 107.812 -176.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.6 t -131.61 123.55 52.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 O-C-N 124.474 1.109 . . . . 33.07 109.67 -170.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -121.94 143.26 49.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 117.056 -1.45 . . . . 41.26 111.147 -174.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' CB ' ' O ' ' A' 3020 ' ' HOH . . . -55.56 160.33 2.5 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 125.642 1.839 . . . . 28.98 111.139 176.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . 0.552 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 20.1 tp10 -50.37 135.29 22.2 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 116.463 -2.095 . . . . 51.01 112.503 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.4 ptm -162.43 164.5 27.14 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 112.139 -2.301 . . . . 33.05 111.007 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -92.18 115.86 28.44 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 113.772 -1.558 . . . . 37.17 111.541 -177.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.3 mt -125.75 136.94 29.07 Favored Pre-proline 0 N--CA 1.446 -0.637 0 O-C-N 124.597 1.185 . . . . 41.38 111.133 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.95 149.83 33.43 Favored 'Trans proline' 0 C--N 1.326 -0.634 0 CA-C-O 118.482 -0.716 . . . . 42.08 110.795 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.8 -174.15 23.24 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 118.964 2.346 . . . . 34.04 118.964 166.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . . . -71.61 142.44 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.609 1.564 . . . . 56.04 111.521 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . 1.155 ' HZ3' ' CD ' ' A' ' 44' ' ' PRO . 7.8 p-90 -146.03 164.05 33.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.455 1.097 . . . . 73.2 110.768 175.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . 0.87 ' N ' ' HE3' ' A' ' 42' ' ' TRP . 18.2 mtpt -126.45 133.16 24.7 Favored Pre-proline 0 C--N 1.321 -0.631 0 C-N-CA 125.764 1.626 . . . . 55.03 110.227 -178.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . 1.155 ' CD ' ' HZ3' ' A' ' 42' ' ' TRP . 16.6 Cg_exo -68.41 140.02 47.0 Favored 'Trans proline' 0 C--N 1.32 -0.973 0 O-C-N 124.228 1.646 . . . . 47.45 110.513 177.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.827 ' HD2' ' OE1' ' A' ' 58' ' ' GLN . 19.2 tttt -154.07 148.49 26.12 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 123.201 1.477 . . . . 49.66 109.415 -169.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.3 mtm -118.11 124.34 47.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 120.429 -1.419 . . . . 157.91 108.666 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . 0.446 HG13 HG13 ' A' ' 54' ' ' ILE . 31.9 pt -119.41 143.99 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 125.103 2.382 . . . . 49.41 112.337 175.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.66 168.18 13.55 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 113.396 -1.729 . . . . 45.11 112.512 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 50' ' ' ILE . . . -174.77 -164.35 29.44 Favored Glycine 0 C--N 1.317 -0.5 0 N-CA-C 108.097 -2.001 . . . . 51.8 108.097 172.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 49' ' ' GLY . 7.7 mt -45.57 134.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 116.548 -2.061 . . . . 58.55 109.658 178.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.56 -24.99 30.01 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 116.978 1.551 . . . . 42.84 116.978 170.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.65 -149.78 21.2 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 124.058 1.921 . . . . 37.45 112.731 -178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . . . -130.95 159.14 38.32 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 119.577 -2.131 . . . . 48.71 111.488 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . 0.446 HG13 HG13 ' A' ' 47' ' ' ILE . 4.4 pt -121.25 154.61 25.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 113.688 -1.597 . . . . 41.57 111.022 172.779 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . -86.82 132.89 33.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.713 -1.137 . . . . 44.35 109.083 167.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 45' ' ' LYS . 18.5 m -122.17 165.47 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.804 1.315 . . . . 44.32 110.428 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . 0.552 ' NH1' ' OE1' ' A' ' 35' ' ' GLU . 87.7 mtm-85 -107.28 125.63 51.4 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.142 -1.058 . . . . 57.03 108.142 166.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . 0.827 ' OE1' ' HD2' ' A' ' 45' ' ' LYS . 41.7 tt0 -96.47 111.99 23.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 124.334 2.016 . . . . 40.27 114.276 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.85 130.05 55.57 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 107.238 -1.393 . . . . 41.42 107.238 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -106.5 164.16 12.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 118.481 -0.771 . . . . 51.27 110.8 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . 0.564 ' N ' ' OE1' ' A' ' 61' ' ' GLN . 8.7 mp0 47.5 52.55 12.25 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 127.517 3.011 . . . . 88.33 111.478 -175.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.5 mm -99.17 132.51 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 116.751 -1.98 . . . . 31.36 108.502 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -79.91 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 123.108 1.432 . . . . 30.49 111.163 175.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . 0.488 HG21 HD13 ' A' ' 89' ' ' LEU . 6.4 tt -135.93 138.19 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 119.58 -1.95 . . . . 52.51 108.499 175.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -107.66 119.86 40.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 102.969 -2.974 . . . . 55.55 102.969 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mt -109.02 118.91 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.392 -0.966 . . . . 33.48 108.392 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.4 t 43.6 32.81 0.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.488 1.117 . . . . 56.35 111.014 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.69 -8.39 63.79 Favored Glycine 0 C--N 1.338 0.656 0 O-C-N 120.672 -1.268 . . . . 60.19 112.73 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -98.34 128.86 44.95 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.167 -1.196 . . . . 44.67 110.34 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -83.21 142.45 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 118.938 -1.105 . . . . 58.37 113.084 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -146.06 156.61 43.59 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 124.782 1.301 . . . . 31.43 109.228 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.15 136.81 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 119.509 1.049 . . . . 40.34 108.736 173.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.31 -169.78 42.82 Favored Glycine 0 CA--C 1.502 -0.77 0 CA-C-O 124.935 2.408 . . . . 26.14 112.051 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 m -77.09 137.29 38.84 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.313 -1.444 . . . . 32.97 113.004 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.9 t -132.15 125.21 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 124.368 2.032 . . . . 32.33 111.482 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.4 mt -91.15 142.8 27.35 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 120.847 -1.158 . . . . 42.38 108.278 178.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.29 120.5 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 119.576 -1.952 . . . . 33.18 111.29 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.67 -164.86 34.74 Favored Glycine 0 N--CA 1.462 0.369 0 C-N-CA 117.921 -2.085 . . . . 40.58 111.658 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.18 37.94 0.41 Allowed 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 124.134 3.222 . . . . 55.36 115.714 -168.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . 0.478 ' OG1' ' HD2' ' A' ' 81' ' ' PRO . 1.3 t -67.38 152.46 96.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 119.075 -1.05 . . . . 41.28 109.809 175.687 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' OG1' ' A' ' 80' ' ' THR . 42.7 Cg_endo -69.7 -30.17 22.97 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 O-C-N 123.397 1.209 . . . . 49.94 111.596 179.188 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.93 156.15 14.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.117 -0.947 . . . . 46.15 110.148 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.91 126.25 29.18 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.632 -0.667 . . . . 27.15 110.152 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.2 mt -118.34 127.67 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 O-C-N 124.008 0.817 . . . . 32.22 113.134 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.7 mm -96.46 110.88 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 125.77 1.628 . . . . 29.59 108.481 169.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.72 -179.34 34.85 Favored Glycine 0 N--CA 1.46 0.256 0 O-C-N 126.319 2.262 . . . . 19.54 113.563 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -60.71 -29.11 69.15 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.05 -1.264 . . . . 27.37 113.005 -170.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -56.63 -29.29 62.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 120.715 -1.241 . . . . 25.92 111.722 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . 0.488 HD13 HG21 ' A' ' 64' ' ' ILE . 76.0 mt -103.98 -30.73 10.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 118.177 -0.916 . . . . 30.34 110.378 178.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.34 -35.15 73.33 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 120.044 1.293 . . . . 23.28 111.459 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -63.37 -37.59 87.85 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.867 -1.133 . . . . 27.84 110.406 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -67.38 -27.73 67.34 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 124.548 1.155 . . . . 35.1 114.081 -177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.64 11.08 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 118.58 -2.575 . . . . 28.18 113.138 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.89 27.75 66.16 Favored Glycine 0 C--O 1.218 -0.875 0 CA-C-O 124.2 2.0 . . . . 26.06 115.014 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.95 132.2 35.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 119.636 -2.096 . . . . 27.63 112.721 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.9 p -127.21 161.59 28.17 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 125.093 1.496 . . . . 28.15 111.631 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.6 mt -100.32 142.51 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 126.693 2.495 . . . . 26.6 109.631 168.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -138.76 131.78 29.66 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.25 0.968 . . . . 57.87 110.316 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.2 p90 . . . . . 0 C--O 1.246 0.881 0 O-C-N 125.231 1.582 . . . . 43.27 110.66 167.478 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2501 ' ' YDP . . . . . 0.426 ' N1 ' ' NH2' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3020 ' ' HOH . . . . . 0.566 ' O ' ' CB ' ' A' ' 34' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 3021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 N--CA 1.457 -0.618 0 CA-C-O 123.475 1.364 . . . . 48.299999999999997 115.268 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -99.39 136.0 39.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.266 -1.333 . . . . 50.700000000000003 107.942 162.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 19.1 mt -127.93 117.39 45.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.523 -1.217 . . . . 37.890000000000001 109.823 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.2 p -81.53 171.7 14.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 122.649 1.214 . . . . 31.43 109.418 173.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.4 mt -119.85 22.9 11.35 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 114.667 1.358 . . . . 28.129999999999999 114.667 -170.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -66.51 -24.28 66.37 Favored 'General case' 0 C--N 1.345 0.398 0 O-C-N 120.73 -1.231 . . . . 32.590000000000003 112.152 172.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -119.4 164.65 15.4 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.438 0.695 . . . . 72.109999999999999 109.625 170.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' NH2' ' N1 ' ' A' 2501 ' ' YDP . 95.8 mtt180 -59.75 139.19 90.03 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 118.411 -1.316 . . . . 41.240000000000002 110.682 172.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.623 ' HD2' HD11 ' A' ' 23' ' ' LEU . 84.6 Cg_endo -81.49 74.06 5.57 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 121.61 1.54 . . . . 23.07 112.073 -178.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -91.84 129.32 37.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.567 -1.197 . . . . 44.299999999999997 111.909 -177.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.46 158.41 36.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 N-CA-C 106.774 -1.565 . . . . 27.940000000000001 106.774 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p -84.62 140.64 31.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 123.272 1.511 . . . . 38.939999999999998 110.326 169.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.4 pt -129.99 156.09 41.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.214 -1.357 . . . . 24.710000000000001 108.113 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -124.72 124.1 41.42 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 125.736 1.898 . . . . 31.120000000000001 106.111 171.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.0 tt -148.6 137.88 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 125.843 1.964 . . . . 30.579999999999998 109.679 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.17 33.55 57.91 Favored Glycine 0 C--N 1.319 -0.401 0 O-C-N 126.523 2.389 . . . . 24.870000000000001 112.84 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.42 9.64 81.7 Favored Glycine 0 N--CA 1.434 -1.443 0 C-N-CA 126.608 2.051 . . . . 21.280000000000001 117.407 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -119.34 146.66 45.12 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 120.19 -1.771 . . . . 28.300000000000001 111.754 -174.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.7 129.55 37.65 Favored 'General case' 0 N--CA 1.439 -0.985 0 O-C-N 126.101 2.125 . . . . 34.640000000000001 111.802 174.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -143.69 165.43 27.67 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.346 1.029 . . . . 34.640000000000001 111.785 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -105.36 142.25 35.44 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 124.586 1.178 . . . . 48.340000000000003 108.767 172.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -147.93 157.63 43.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.37 1.669 . . . . 20.5 109.097 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 ' HD2' ' A' ' 9' ' ' PRO . 35.6 tp -98.22 125.01 43.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 113.69 -1.595 . . . . 34.469999999999999 112.58 -175.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.5 mt -74.15 114.36 12.39 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 105.939 -1.875 . . . . 25.890000000000001 105.939 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -124.38 96.26 4.84 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.457 -1.402 . . . . 33.149999999999999 113.989 -166.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -71.8 -10.85 60.38 Favored 'General case' 0 CA--C 1.515 -0.403 0 C-N-CA 119.411 -0.916 . . . . 19.309999999999999 110.933 -174.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.55 1.02 75.1 Favored Glycine 0 N--CA 1.438 -1.21 0 O-C-N 120.331 -1.481 . . . . 24.170000000000002 113.902 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.25 126.05 52.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 125.636 1.433 . . . . 20.440000000000001 108.945 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.06 -37.65 78.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 125.559 1.787 . . . . 28.710000000000001 111.322 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -117.03 167.39 11.19 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.432 2.332 . . . . 35.640000000000001 113.119 -170.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.4 m -106.63 126.37 52.18 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 107.812 -1.181 . . . . 26.460000000000001 107.812 -176.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.6 t -131.61 123.55 52.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 O-C-N 124.474 1.109 . . . . 33.07 109.67 -170.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 88.1 mt -121.94 143.26 49.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 117.056 -1.45 . . . . 41.259999999999998 111.147 -174.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' CB ' ' O ' ' A' 3020 ' ' HOH . . . -55.56 160.33 2.5 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 125.642 1.839 . . . . 28.98 111.139 176.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.552 ' OE1' ' NH1' ' A' ' 57' ' ' ARG . 20.1 tp10 -50.37 135.29 22.2 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 116.463 -2.095 . . . . 51.009999999999998 112.503 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.4 ptm -162.43 164.5 27.14 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 112.139 -2.301 . . . . 33.049999999999997 111.007 -177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 t -92.18 115.86 28.44 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 113.772 -1.558 . . . . 37.170000000000002 111.541 -177.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.3 mt -125.75 136.94 29.07 Favored Pre-proline 0 N--CA 1.446 -0.637 0 O-C-N 124.597 1.185 . . . . 41.380000000000003 111.133 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.95 149.83 33.43 Favored 'Trans proline' 0 C--N 1.326 -0.634 0 CA-C-O 118.482 -0.716 . . . . 42.079999999999998 110.795 -175.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.8 -174.15 23.24 Favored Glycine 0 N--CA 1.435 -1.41 0 N-CA-C 118.964 2.346 . . . . 34.039999999999999 118.964 166.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . . . -71.61 142.44 49.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 125.609 1.564 . . . . 56.039999999999999 111.521 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . 1.155 ' HZ3' ' CD ' ' A' ' 44' ' ' PRO . 7.8 p-90 -146.03 164.05 33.32 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.455 1.097 . . . . 73.200000000000003 110.768 175.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.87 ' N ' ' HE3' ' A' ' 42' ' ' TRP . 18.2 mtpt -126.45 133.16 24.7 Favored Pre-proline 0 C--N 1.321 -0.631 0 C-N-CA 125.764 1.626 . . . . 55.030000000000001 110.227 -178.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . 1.155 ' CD ' ' HZ3' ' A' ' 42' ' ' TRP . 16.6 Cg_exo -68.41 140.02 47.0 Favored 'Trans proline' 0 C--N 1.32 -0.973 0 O-C-N 124.228 1.646 . . . . 47.450000000000003 110.513 177.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.827 ' HD2' ' OE1' ' A' ' 58' ' ' GLN . 19.2 tttt -154.07 148.49 26.12 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 123.201 1.477 . . . . 49.659999999999997 109.415 -169.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.3 mtm -118.11 124.34 47.78 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 120.429 -1.419 . . . . 157.91 108.666 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.446 HG13 HG13 ' A' ' 54' ' ' ILE . 31.9 pt -119.41 143.99 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 125.103 2.382 . . . . 49.409999999999997 112.337 175.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.66 168.18 13.55 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 113.396 -1.729 . . . . 45.109999999999999 112.512 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.48 ' O ' ' C ' ' A' ' 50' ' ' ILE . . . -174.77 -164.35 29.44 Favored Glycine 0 C--N 1.317 -0.5 0 N-CA-C 108.097 -2.001 . . . . 51.799999999999997 108.097 172.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.48 ' C ' ' O ' ' A' ' 49' ' ' GLY . 7.7 mt -45.57 134.4 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 116.548 -2.061 . . . . 58.549999999999997 109.658 178.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.56 -24.99 30.01 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 116.978 1.551 . . . . 42.840000000000003 116.978 170.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.65 -149.78 21.2 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-O 124.058 1.921 . . . . 37.450000000000003 112.731 -178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . . . -130.95 159.14 38.32 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 119.577 -2.131 . . . . 48.710000000000001 111.488 -178.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.446 HG13 HG13 ' A' ' 47' ' ' ILE . 4.4 pt -121.25 154.61 25.07 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-N 113.688 -1.597 . . . . 41.57 111.022 172.779 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . . . -86.82 132.89 33.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.713 -1.137 . . . . 44.350000000000001 109.083 167.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 45' ' ' LYS . 18.5 m -122.17 165.47 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.804 1.315 . . . . 44.32 110.428 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.552 ' NH1' ' OE1' ' A' ' 35' ' ' GLU . 87.7 mtm-85 -107.28 125.63 51.4 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 108.142 -1.058 . . . . 57.030000000000001 108.142 166.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.827 ' OE1' ' HD2' ' A' ' 45' ' ' LYS . 41.7 tt0 -96.47 111.99 23.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 124.334 2.016 . . . . 40.270000000000003 114.276 -178.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.85 130.05 55.57 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 107.238 -1.393 . . . . 41.420000000000002 107.238 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -106.5 164.16 12.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 118.481 -0.771 . . . . 51.270000000000003 110.8 -178.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.564 ' N ' ' OE1' ' A' ' 61' ' ' GLN . 8.7 mp0 47.5 52.55 12.25 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 127.517 3.011 . . . . 88.329999999999998 111.478 -175.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.5 mm -99.17 132.51 44.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 116.751 -1.98 . . . . 31.359999999999999 108.502 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -79.91 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 123.108 1.432 . . . . 30.489999999999998 111.163 175.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.488 HG21 HD13 ' A' ' 89' ' ' LEU . 6.4 tt -135.93 138.19 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 119.58 -1.95 . . . . 52.509999999999998 108.499 175.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -107.66 119.86 40.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 102.969 -2.974 . . . . 55.549999999999997 102.969 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.3 mt -109.02 118.91 57.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.392 -0.966 . . . . 33.479999999999997 108.392 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 19.4 t 43.6 32.81 0.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.488 1.117 . . . . 56.350000000000001 111.014 -177.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.69 -8.39 63.79 Favored Glycine 0 C--N 1.338 0.656 0 O-C-N 120.672 -1.268 . . . . 60.189999999999998 112.73 174.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -98.34 128.86 44.95 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 121.167 -1.196 . . . . 44.670000000000002 110.34 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -83.21 142.45 31.16 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 118.938 -1.105 . . . . 58.369999999999997 113.084 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -146.06 156.61 43.59 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 124.782 1.301 . . . . 31.43 109.228 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.9 mt -130.15 136.81 57.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 CA-C-N 119.509 1.049 . . . . 40.340000000000003 108.736 173.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.31 -169.78 42.82 Favored Glycine 0 CA--C 1.502 -0.77 0 CA-C-O 124.935 2.408 . . . . 26.140000000000001 112.051 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.6 m -77.09 137.29 38.84 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.313 -1.444 . . . . 32.969999999999999 113.004 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.9 t -132.15 125.21 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 124.368 2.032 . . . . 32.329999999999998 111.482 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.4 mt -91.15 142.8 27.35 Favored 'General case' 0 CA--C 1.509 -0.607 0 O-C-N 120.847 -1.158 . . . . 42.380000000000003 108.278 178.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.9 t -125.29 120.5 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 119.576 -1.952 . . . . 33.18 111.29 -177.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 176.67 -164.86 34.74 Favored Glycine 0 N--CA 1.462 0.369 0 C-N-CA 117.921 -2.085 . . . . 40.579999999999998 111.658 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -73.18 37.94 0.41 Allowed 'Trans proline' 0 C--O 1.24 0.624 0 C-N-CA 124.134 3.222 . . . . 55.359999999999999 115.714 -168.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . 0.478 ' OG1' ' HD2' ' A' ' 81' ' ' PRO . 1.3 t -67.38 152.46 96.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 C-N-CA 119.075 -1.05 . . . . 41.280000000000001 109.809 175.687 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.478 ' HD2' ' OG1' ' A' ' 80' ' ' THR . 42.7 Cg_endo -69.7 -30.17 22.97 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 O-C-N 123.397 1.209 . . . . 49.939999999999998 111.596 179.188 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 p -144.93 156.15 14.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-N 115.117 -0.947 . . . . 46.149999999999999 110.148 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -68.91 126.25 29.18 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.632 -0.667 . . . . 27.149999999999999 110.152 173.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 15.2 mt -118.34 127.67 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 O-C-N 124.008 0.817 . . . . 32.219999999999999 113.134 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.7 mm -96.46 110.88 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 125.77 1.628 . . . . 29.59 108.481 169.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.72 -179.34 34.85 Favored Glycine 0 N--CA 1.46 0.256 0 O-C-N 126.319 2.262 . . . . 19.539999999999999 113.563 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -60.71 -29.11 69.15 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.05 -1.264 . . . . 27.370000000000001 113.005 -170.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -56.63 -29.29 62.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 120.715 -1.241 . . . . 25.920000000000002 111.722 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.488 HD13 HG21 ' A' ' 64' ' ' ILE . 76.0 mt -103.98 -30.73 10.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 118.177 -0.916 . . . . 30.34 110.378 178.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 68.8 mt -59.34 -35.15 73.33 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 120.044 1.293 . . . . 23.280000000000001 111.459 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -63.37 -37.59 87.85 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 118.867 -1.133 . . . . 27.84 110.406 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -67.38 -27.73 67.34 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 124.548 1.155 . . . . 35.100000000000001 114.081 -177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.64 11.08 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 O-C-N 118.58 -2.575 . . . . 28.18 113.138 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 73.89 27.75 66.16 Favored Glycine 0 C--O 1.218 -0.875 0 CA-C-O 124.2 2.0 . . . . 26.059999999999999 115.014 173.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.2 t -81.95 132.2 35.26 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 119.636 -2.096 . . . . 27.629999999999999 112.721 -179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 44.9 p -127.21 161.59 28.17 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 125.093 1.496 . . . . 28.149999999999999 111.631 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.6 mt -100.32 142.51 31.7 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 126.693 2.495 . . . . 26.600000000000001 109.631 168.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -138.76 131.78 29.66 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.25 0.968 . . . . 57.869999999999997 110.316 -178.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 43.2 p90 . . . . . 0 C--O 1.246 0.881 0 O-C-N 125.231 1.582 . . . . 43.270000000000003 110.66 167.478 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2501 ' ' YDP . . . . . 0.426 ' N1 ' ' NH2' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3020 ' ' HOH . . . . . 0.566 ' O ' ' CB ' ' A' ' 34' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 3021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3027 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_