data_1fxi_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 1fxi _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 0.304 . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 122.293 1.044 . . . . 14.52 108.244 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.95 79.86 0.21 Allowed 'General case' 0 N--CA 1.53 3.561 1 O-C-N 115.584 -4.447 . . . . 19.27 109.175 175.866 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . 0.666 ' CD1' ' CA ' ' A' ' 83' ' ' GLY . 20.2 m-85 -82.38 139.24 34.17 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 123.58 1.657 . . . . 14.42 109.719 -178.035 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -78.35 106.18 10.09 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 105.169 -2.16 . . . . 17.81 105.169 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.6 m -112.48 132.57 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 116.22 -2.192 . . . . 14.89 105.868 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 117' ' ' HOH . 51.8 m -96.4 128.89 43.74 Favored 'General case' 0 C--N 1.273 -2.749 1 C-N-CA 135.906 5.682 . . . . 14.24 108.167 174.764 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . 0.702 ' CG ' ' O ' ' A' ' 117' ' ' HOH . 0.0 OUTLIER -117.11 125.77 51.78 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 103.525 -2.768 . . . . 14.87 103.525 177.03 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.77 94.19 6.48 Favored 'General case' 0 N--CA 1.496 1.85 1 CA-C-O 129.276 4.369 . . . . 14.32 102.018 178.977 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . 0.631 ' O ' ' C ' ' A' ' 10' ' ' PRO . 27.2 p -99.41 169.72 7.77 Favored Pre-proline 0 C--O 1.268 2.038 0 CA-C-O 127.908 3.718 . . . . 15.52 110.531 179.496 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . 0.631 ' C ' ' O ' ' A' ' 9' ' ' THR . 16.3 Cg_endo -29.14 -79.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 CA-C-N 108.257 -3.158 . . . . 15.65 106.967 177.087 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . 0.784 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -61.3 -14.58 27.81 Favored 'General case' 0 C--N 1.297 -1.684 2 N-CA-C 124.646 5.054 . . . . 21.34 124.646 -175.217 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.88 -177.54 39.65 Favored Glycine 0 N--CA 1.508 3.496 1 C-N-CA 113.037 -4.411 . . . . 25.74 103.699 -179.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -102.33 98.14 8.3 Favored 'General case' 0 C--O 1.272 2.252 1 O-C-N 132.943 5.731 . . . . 16.13 107.476 179.39 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -96.23 143.85 26.95 Favored 'General case' 0 N--CA 1.509 2.486 1 O-C-N 129.406 4.191 . . . . 14.74 108.59 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.8 t -119.64 114.98 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 C-N-CA 115.865 -2.334 . . . . 19.61 110.148 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . 0.431 ' CG2' ' CG ' ' A' ' 31' ' ' GLU 0.268 0.5 OUTLIER -96.35 176.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 CA-C-O 126.866 3.222 . . . . 17.92 102.58 178.383 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . 0.939 ' CG2' ' OE1' ' D' ' 92' ' ' GLU 0.438 2.6 t -140.74 126.19 18.85 Favored 'General case' 0 C--O 1.275 2.399 1 N-CA-C 98.257 -4.719 . . . . 19.76 98.257 178.366 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.28 0.6 OUTLIER -131.71 141.96 43.51 Favored Pre-proline 0 N--CA 1.488 1.461 0 N-CA-C 104.982 -2.229 . . . . 19.53 104.982 -177.038 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -74.68 153.62 43.58 Favored 'Trans proline' 0 C--O 1.264 1.784 0 O-C-N 126.073 2.617 . . . . 18.83 105.446 177.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.39 2.04 2.59 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 123.418 1.58 . . . . 14.11 113.696 -179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.423 0.8 OUTLIER -118.38 14.54 13.79 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 113.406 -3.318 . . . . 15.46 104.513 -178.463 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . 0.723 ' OE2' ' O ' ' A' ' 104' ' ' HOH . 0.7 OUTLIER -121.59 128.04 51.54 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.977 2.673 . . . . 22.79 112.114 -178.86 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . 0.985 ' OH ' ' OE1' ' A' ' 61' ' ' GLN . 20.8 m-30 -63.68 135.51 56.78 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 126.788 2.555 . . . . 16.13 104.863 178.502 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.8 mt -54.65 -27.81 18.56 Favored 'Isoleucine or valine' 0 C--O 1.256 1.41 1 O-C-N 130.036 4.585 . . . . 18.35 114.287 -171.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . 0.698 ' CD2' ' CA ' ' A' ' 77' ' ' CYS 0.256 0.0 OUTLIER -88.92 -27.28 21.07 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.583 2.427 . . . . 15.41 104.989 -179.989 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . 0.492 ' CB ' ' OE1' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -54.76 -50.26 68.85 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 103.456 -2.794 . . . . 15.76 103.456 178.899 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.263 2.1 t -62.19 -56.81 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 126.393 2.308 . . . . 11.79 115.084 -178.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.25 -49.89 2.72 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 126.235 2.21 . . . . 14.85 110.81 176.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.37 -46.2 87.61 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 116.093 1.886 . . . . 14.88 116.093 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -57.15 -41.82 79.88 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.392 -1.731 . . . . 22.38 107.646 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' CG ' ' CG2' ' A' ' 16' ' ' ILE . 22.6 mm-40 -60.18 -37.21 79.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 113.935 -2.936 . . . . 17.67 106.122 177.588 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.6 18.59 3.99 Favored Glycine 0 N--CA 1.474 1.22 2 O-C-N 129.909 4.506 . . . . 15.51 112.803 177.041 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.62 164.22 12.55 Favored 'General case' 0 C--N 1.306 -1.285 1 CA-C-O 136.873 7.987 . . . . 15.56 111.537 177.907 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . 0.565 ' OD2' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -113.42 163.41 14.91 Favored 'General case' 0 C--O 1.254 1.336 3 CA-C-O 137.782 8.42 . . . . 23.07 107.334 176.61 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . 0.848 ' CD2' ' O ' ' A' ' 89' ' ' THR . 1.2 tm? -172.69 140.16 0.97 Allowed Pre-proline 0 C--N 1.277 -2.55 3 C-N-CA 140.048 7.339 . . . . 17.56 95.563 179.166 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . 0.654 ' O ' ' CD1' ' A' ' 35' ' ' LEU . 41.2 Cg_endo -75.56 135.86 18.58 Favored 'Trans proline' 0 C--N 1.312 -1.367 1 O-C-N 131.679 5.568 . . . . 18.08 112.368 175.873 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' C ' ' CD2' ' A' ' 37' ' ' TYR . 33.0 p90 -143.68 172.02 13.39 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 123.834 3.015 . . . . 19.27 107.855 172.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . 0.523 ' OG ' ' CG2' ' A' ' 46' ' ' THR . 0.9 OUTLIER -123.65 -88.39 0.61 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 127.476 3.513 . . . . 15.63 113.046 175.465 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 43' ' ' ALA . 6.0 p -67.21 -25.29 66.04 Favored 'General case' 0 C--N 1.309 -1.178 1 CA-C-O 108.961 -5.304 . . . . 18.51 115.371 -173.777 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.32 4.65 4.72 Favored 'General case' 0 C--N 1.295 -1.766 1 O-C-N 133.19 6.556 . . . . 15.95 105.91 -179.325 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -6.75 9.77 Favored 'General case' 0 C--N 1.308 -1.226 1 N-CA-C 122.504 4.261 . . . . 14.26 122.504 -174.812 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . 0.643 ' CA ' ' S2 ' ' A' ' 97' ' ' FES . . . 79.99 18.31 72.61 Favored Glycine 0 C--N 1.291 -1.94 1 CA-C-N 126.747 4.34 . . . . 10.6 108.855 171.321 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' CB ' ' SG ' ' A' ' 39' ' ' CYS . . . -87.25 -14.62 40.49 Favored 'General case' 0 C--N 1.284 -2.25 2 CA-C-N 107.074 -4.563 . . . . 15.13 110.477 -178.117 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 45' ' ' SER . 1.0 OUTLIER -147.04 -154.79 0.57 Allowed 'General case' 0 CA--C 1.507 -0.684 1 O-C-N 129.216 4.072 . . . . 14.31 116.769 -176.773 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . 0.492 ' N ' ' SG ' ' A' ' 44' ' ' CYS 0.266 0.4 OUTLIER -118.25 -23.16 7.4 Favored 'General case' 0 C--O 1.266 1.961 0 N-CA-C 121.092 3.738 . . . . 15.4 121.092 -174.875 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . 0.523 ' CG2' ' OG ' ' A' ' 38' ' ' SER 0.309 72.1 p -41.66 -42.93 2.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 119.405 3.113 . . . . 14.83 119.405 -179.571 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' CYS . . . . . 0.638 ' O ' ' OG1' ' A' ' 76' ' ' THR . 30.6 p -97.39 23.45 7.56 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 122.866 2.576 . . . . 17.5 113.711 179.851 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.39 134.1 53.89 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 128.127 3.823 . . . . 15.98 115.538 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.54 168.18 13.16 Favored Glycine 0 C--O 1.271 2.468 0 O-C-N 117.161 -3.462 . . . . 11.42 108.79 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . 0.93 ' NZ ' ' O ' ' A' ' 71' ' ' ALA . 2.6 tmtt? -132.67 124.42 28.2 Favored 'General case' 0 N--CA 1.488 1.468 3 O-C-N 130.44 4.259 . . . . 10.6 107.76 175.138 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.22 131.41 41.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 126.488 2.368 . . . . 13.84 105.772 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . 0.68 ' CB ' ' CG2' ' A' ' 86' ' ' VAL . 77.5 t -91.29 -64.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 N-CA-C 101.678 -3.452 . . . . 14.08 101.678 177.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.01 160.83 32.46 Favored 'General case' 0 C--O 1.255 1.369 0 C-N-CA 128.732 2.813 . . . . 20.31 111.446 179.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.91 -157.05 15.24 Favored Glycine 0 C--O 1.258 1.627 0 O-C-N 126.977 2.673 . . . . 20.9 115.167 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' CB ' ' CG2' ' A' ' 82' ' ' THR . 5.2 Cg_exo -82.48 -98.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.323 -0.814 0 O-C-N 126.282 2.728 . . . . 15.89 106.546 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . 0.277 . . 177.73 138.17 0.23 Allowed Pre-proline 0 C--N 1.287 -2.12 1 N-CA-C 98.73 -4.544 . . . . 14.61 98.73 -177.197 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . 0.793 ' CA ' ' O ' ' A' ' 80' ' ' TYR . 39.5 Cg_endo -84.74 131.19 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.81 1 O-C-N 133.339 6.441 . . . . 13.16 104.564 -179.559 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . 0.899 ' OD1' ' OD1' ' A' ' 60' ' ' ASP 0.288 0.0 OUTLIER -51.69 102.71 0.05 OUTLIER 'General case' 0 N--CA 1.52 3.044 0 O-C-N 126.84 2.587 . . . . 15.31 109.321 179.059 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' GLN 0.358 0.3 OUTLIER -107.97 32.01 5.08 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-O 127.055 3.312 . . . . 17.51 106.313 -178.367 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.899 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 11.4 p-10 -75.49 71.03 2.4 Favored 'General case' 0 N--CA 1.486 1.341 1 N-CA-C 98.437 -4.653 . . . . 16.91 98.437 176.666 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . 0.985 ' OE1' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -160.47 -74.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 1 CA-C-O 130.451 4.929 . . . . 15.32 110.322 -179.519 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . 1.147 ' OG ' ' CG1' ' A' ' 78' ' ' VAL . 41.2 m -75.05 101.31 4.47 Favored 'General case' 0 C--O 1.279 2.646 2 CA-C-O 107.641 -5.933 . . . . 17.97 102.697 -177.71 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . 1.021 ' CD1' ' O ' ' A' ' 62' ' ' SER 0.6 0.0 OUTLIER -133.51 -91.04 0.37 Allowed 'General case' 0 C--O 1.281 2.723 3 O-C-N 134.6 7.437 . . . . 16.92 117.22 175.695 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . 0.85 ' CG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER 12.07 12.56 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.267 1 CA-C-N 137.756 9.344 . . . . 18.38 106.699 -177.414 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' O ' ' CZ ' ' A' ' 63' ' ' PHE 0.329 0.4 OUTLIER -117.29 100.98 8.05 Favored 'General case' 0 N--CA 1.492 1.665 1 CA-C-O 129.178 4.323 . . . . 18.18 106.187 -176.098 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.461 1.6 m-20 -4.72 108.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.887 2 C-N-CA 132.086 4.154 . . . . 16.7 111.531 -173.499 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -44.26 66.17 0.0 OUTLIER 'General case' 0 C--O 1.252 1.207 1 C-N-CA 133.476 4.71 . . . . 16.73 119.629 -174.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.33 45.85 1.73 Allowed 'General case' 0 C--O 1.264 1.848 0 C-N-CA 128.273 2.629 . . . . 17.74 115.251 -179.044 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ILE . . . . . 0.408 ' CG2' ' CZ ' ' A' ' 63' ' ' PHE 0.272 0.0 OUTLIER -66.12 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--O 1.286 2.99 1 CA-C-O 109.188 -5.196 . . . . 26.55 105.542 178.363 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -38.47 11.91 Favored 'General case' 0 C--O 1.264 1.825 2 O-C-N 140.289 10.993 . . . . 22.22 119.268 -179.921 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . 0.93 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . . . -64.91 -14.79 60.87 Favored 'General case' 0 C--O 1.246 0.881 1 CA-C-O 132.797 6.046 . . . . 17.96 109.29 176.036 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 6.08 45.26 Favored Glycine 0 CA--C 1.55 2.226 2 N-CA-C 102.013 -4.435 . . . . 15.69 102.013 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' NZ ' ' A' ' 91' ' ' LYS . 70.4 m-85 -83.05 106.44 14.87 Favored 'General case' 0 C--O 1.205 -1.275 1 C-N-CA 109.103 -5.039 . . . . 18.99 113.251 -179.172 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . 0.49 ' CA ' ' OE2' ' A' ' 59' ' ' GLU 0.353 0.8 OUTLIER -94.24 138.6 20.2 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.755 0 C-N-CA 131.669 3.988 . . . . 15.96 118.04 167.401 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mt -98.79 87.87 3.88 Favored 'General case' 0 C--N 1.317 -0.832 2 O-C-N 113.871 -5.518 . . . . 14.51 116.354 178.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 47' ' ' CYS 0.276 70.3 p -42.3 -21.82 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 1 N-CA-C 122.578 4.288 . . . . 15.47 122.578 -174.924 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . 0.698 ' CA ' ' CD2' ' A' ' 25' ' ' LEU . 26.9 p -85.19 -13.35 50.29 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 124.07 3.123 . . . . 13.34 112.285 -176.557 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . 1.147 ' CG1' ' OG ' ' A' ' 62' ' ' SER 0.341 1.1 t -137.96 42.91 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.003 1 O-C-N 129.589 4.305 . . . . 14.21 112.403 178.145 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.39 138.24 51.2 Favored 'General case' 0 CA--C 1.54 0.595 1 O-C-N 116.292 -4.005 . . . . 13.31 111.274 -178.532 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TYR . . . . . 0.793 ' O ' ' CA ' ' A' ' 57' ' ' PRO 0.264 82.2 m-85 -116.95 123.33 30.32 Favored Pre-proline 0 C--N 1.302 -1.498 0 CA-C-N 110.635 -2.984 . . . . 14.53 103.155 173.843 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -71.74 143.2 41.17 Favored 'Trans proline' 0 C--O 1.253 1.251 1 O-C-N 129.418 4.378 . . . . 15.51 106.48 175.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . 0.402 ' CG2' ' CB ' ' A' ' 55' ' ' PRO . 0.8 OUTLIER -111.17 -3.72 15.3 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 125.738 1.899 . . . . 18.24 112.865 -178.595 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . 0.666 ' CA ' ' CD1' ' A' ' 3' ' ' TYR . . . -179.97 -156.21 17.36 Favored Glycine 0 N--CA 1.484 1.835 0 CA-C-O 114.665 -3.297 . . . . 16.68 106.576 -179.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.295 1.9 m-20 -75.13 148.06 39.99 Favored 'General case' 0 N--CA 1.499 2.023 1 O-C-N 132.511 5.477 . . . . 20.1 108.621 178.659 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.9 p -169.25 162.29 10.5 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 115.071 -2.652 . . . . 13.85 113.46 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . 0.68 ' CG2' ' CB ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -129.15 137.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 102.231 -3.248 . . . . 12.56 102.231 -179.161 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . 0.626 ' CG2' ' O ' ' A' ' 86' ' ' VAL 0.296 1.2 pp -149.14 131.62 6.35 Favored 'Isoleucine or valine' 0 C--O 1.258 1.549 0 C-N-CA 115.894 -2.322 . . . . 20.63 111.057 178.251 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 143.64 55.08 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 110.296 -3.138 . . . . 21.9 103.299 173.028 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . 0.848 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 2.4 p -120.51 -23.46 6.09 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 121.208 3.781 . . . . 17.01 121.208 -173.535 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.61 95.46 10.17 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 101.128 -3.656 . . . . 15.55 101.128 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . 0.579 ' NZ ' ' CE2' ' A' ' 73' ' ' TYR 0.256 3.0 mtpt -130.33 28.35 4.98 Favored 'General case' 0 N--CA 1.498 1.961 2 N-CA-C 126.467 5.728 . . . . 16.09 126.467 -177.355 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . 0.446 ' OE2' ' CB ' ' A' ' 45' ' ' SER . 1.7 pt-20 -92.26 99.09 11.93 Favored 'General case' 0 C--O 1.262 1.719 0 CA-C-O 127.136 3.35 . . . . 17.84 105.171 167.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . 0.353 14.0 mm-40 157.19 47.27 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.847 3 CA-C-O 130.105 4.764 . . . . 16.94 98.184 -175.063 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . 0.803 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -166.2 -65.4 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.048 1 CA-C-N 106.972 -4.649 . . . . 17.18 102.815 -179.556 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.7 mt -52.67 -51.65 59.31 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 126.952 3.263 . . . . 16.88 110.83 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' TYR . . . . . 0.803 ' CE2' ' O ' ' A' ' 94' ' ' ALA 0.288 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.659 1 CA-C-N 104.588 -5.733 . . . . 17.11 100.243 -175.581 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . 0.886 ' O ' ' O ' ' B' ' 98' ' ' HOH . . . . . . . . 0 C--O 1.281 2.731 0 N-CA-C 117.546 2.424 . . . . 17.27 117.546 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' B' ' 98' ' ' HOH 0.314 0.6 OUTLIER -166.2 76.97 0.22 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.717 1.144 . . . . 18.02 108.708 -179.81 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -83.03 161.95 21.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 128.831 3.832 . . . . 21.16 108.725 178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.262 4.2 mtmt -95.26 113.46 25.13 Favored 'General case' 0 N--CA 1.411 -2.382 1 C-N-CA 132.884 4.473 . . . . 17.4 105.281 -178.944 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -123.1 125.57 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 1 O-C-N 130.392 4.807 . . . . 13.99 101.522 174.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 57.6 m -90.39 134.35 34.39 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 113.568 -3.111 . . . . 16.54 104.232 175.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.6 116.67 29.87 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 123.448 2.84 . . . . 13.21 105.535 173.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -91.04 82.9 5.56 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 126.653 3.121 . . . . 14.93 105.076 177.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' THR . . . . . 0.878 ' CA ' ' CG2' ' B' ' 89' ' ' THR . 4.6 p -90.17 147.91 38.1 Favored Pre-proline 0 C--O 1.258 1.524 0 C-N-CA 128.478 2.711 . . . . 15.72 114.032 -179.128 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . 0.331 53.3 Cg_exo -46.73 -32.78 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.473 1 CA-C-O 109.228 -4.572 . . . . 16.22 116.261 179.237 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.298 0.2 OUTLIER -81.28 -51.8 7.99 Favored 'General case' 0 CA--C 1.557 1.216 1 CA-C-N 130.016 5.826 . . . . 16.86 105.777 175.85 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.45 -159.03 8.91 Favored Glycine 0 N--CA 1.417 -2.587 2 N-CA-C 130.035 6.774 . . . . 16.31 130.035 178.615 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -134.11 64.5 1.6 Allowed 'General case' 0 CA--C 1.544 0.741 1 C-N-CA 134.465 5.106 . . . . 18.9 105.458 -178.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ASN . . . . . 0.606 ' N ' ' ND2' ' B' ' 14' ' ' ASN . 0.0 OUTLIER -80.66 132.43 35.59 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 112.089 -3.815 . . . . 15.91 115.682 -177.109 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . 0.684 ' O ' ' CG1' ' B' ' 15' ' ' VAL 0.282 0.4 OUTLIER -102.22 123.68 55.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 126.08 2.112 . . . . 14.93 107.607 176.454 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . 0.579 23.4 mm -105.19 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 1 C-N-CA 134.937 5.295 . . . . 18.05 108.266 -179.49 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.266 0.9 OUTLIER -130.73 112.51 13.15 Favored 'General case' 0 C--N 1.307 -1.265 2 O-C-N 114.084 -5.385 . . . . 14.89 102.099 -178.977 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . 0.278 13.3 t -124.22 132.52 24.31 Favored Pre-proline 0 N--CA 1.409 -2.476 1 C-N-CA 133.034 4.534 . . . . 14.36 119.573 -177.899 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -68.9 144.31 58.2 Favored 'Trans proline' 0 C--O 1.261 1.644 0 CA-C-O 129.274 3.781 . . . . 16.26 104.144 172.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' B' ' 21' ' ' ASP . 6.1 p-10 -57.53 -17.57 14.57 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 109.771 -3.377 . . . . 17.49 110.152 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' B' ' 103' ' ' HOH . 17.8 p-10 -119.75 32.3 6.13 Favored 'General case' 0 N--CA 1.502 2.127 1 O-C-N 129.879 4.487 . . . . 16.63 112.357 -174.803 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.17 120.61 20.29 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 111.959 -3.877 . . . . 17.51 114.096 178.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' B' ' 137' ' ' HOH . 14.0 m-30 -51.06 145.07 8.01 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 122.215 2.279 . . . . 17.14 105.476 175.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.35 -18.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 1 C-N-CA 133.273 4.629 . . . . 13.26 111.166 -177.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . 0.47 ' CD1' ' CG2' ' B' ' 76' ' ' THR . 1.0 OUTLIER -96.34 -28.05 14.67 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 128.679 3.737 . . . . 15.87 112.881 -177.076 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -43.77 77.94 Favored 'General case' 0 N--CA 1.485 1.321 1 CA-C-O 128.682 4.087 . . . . 18.13 100.83 177.301 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . 0.487 ' O ' ' C ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -68.2 -59.29 3.85 Favored 'Isoleucine or valine' 0 C--O 1.262 1.759 0 CA-C-N 108.601 -3.908 . . . . 15.13 109.285 179.477 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' B' ' 27' ' ' VAL . . . -35.38 -70.9 0.08 Allowed 'General case' 0 N--CA 1.477 0.917 1 O-C-N 131.258 5.349 . . . . 14.77 110.996 -177.431 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . 0.686 ' CG ' ' O ' ' B' ' 121' ' ' HOH . 0.1 OUTLIER -35.16 -45.39 0.29 Allowed 'General case' 0 C--O 1.264 1.826 0 C-N-CA 131.501 3.92 . . . . 18.23 113.535 178.96 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' B' ' 31' ' ' GLU . 4.2 tp10 -57.92 -64.67 0.83 Allowed 'General case' 0 C--N 1.357 0.917 1 O-C-N 131.551 5.532 . . . . 19.01 107.424 179.151 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' B' ' 30' ' ' GLU . 11.1 mm-40 -43.21 -66.81 0.33 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 109.701 -3.409 . . . . 17.23 103.912 177.627 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.56 23.46 0.07 OUTLIER Glycine 0 C--O 1.271 2.446 0 CA-C-O 125.385 2.659 . . . . 15.15 112.315 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . 0.521 ' C ' ' OD2' ' B' ' 34' ' ' ASP . 2.6 mp -89.69 -172.62 3.63 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 119.233 -2.334 . . . . 13.95 107.842 -178.911 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' B' ' 34' ' ' ASP . 0.0 OUTLIER -141.62 178.24 7.6 Favored 'General case' 0 N--CA 1.494 1.757 1 CA-C-O 134.669 6.937 . . . . 18.12 109.987 176.427 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . 1.12 ' CD1' ' O ' ' B' ' 36' ' ' PRO . 0.0 OUTLIER 178.52 137.28 0.25 Allowed Pre-proline 0 C--N 1.292 -1.915 1 CA-C-N 107.442 -4.436 . . . . 17.29 100.379 178.15 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PRO . . . . . 1.12 ' O ' ' CD1' ' B' ' 35' ' ' LEU . 11.1 Cg_endo -48.62 135.63 27.25 Favored 'Trans proline' 0 C--N 1.298 -2.109 1 O-C-N 130.479 4.936 . . . . 17.02 108.122 176.74 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . 0.313 0.4 OUTLIER -158.87 139.4 12.5 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 113.608 -3.237 . . . . 15.38 108.807 173.247 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 3.8 p -114.14 -83.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 119.587 -1.946 . . . . 13.81 112.903 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' CYS . . . . . 0.87 ' O ' ' CG ' ' B' ' 40' ' ' ARG . 26.5 p -68.89 -19.88 64.23 Favored 'General case' 0 C--O 1.251 1.16 0 N-CA-C 114.268 1.21 . . . . 16.15 114.268 -175.435 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ARG . . . . . 0.87 ' CG ' ' O ' ' B' ' 39' ' ' CYS . 0.5 OUTLIER 49.89 11.47 0.06 Allowed 'General case' 0 C--N 1.312 -1.043 1 CA-C-O 110.582 -4.532 . . . . 18.65 110.465 -178.114 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.67 13.44 21.18 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 122.717 2.508 . . . . 14.33 116.546 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . 0.81 ' CA ' ' S2 ' ' B' ' 97' ' ' FES . . . 59.19 44.65 96.27 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 129.392 3.377 . . . . 13.6 110.85 179.93 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.01 -10.33 15.96 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 118.805 2.891 . . . . 13.12 118.805 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 15.2 p -138.26 -163.63 1.49 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 118.446 2.758 . . . . 15.71 118.446 179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 5.8 p -115.08 2.75 14.25 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 113.562 -3.255 . . . . 15.85 114.234 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.564 0.5 OUTLIER -61.77 -19.41 62.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 111.913 -3.899 . . . . 15.37 114.672 -176.437 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.02 27.95 9.09 Favored 'General case' 0 C--O 1.265 1.911 0 CA-C-N 124.568 3.349 . . . . 13.53 112.148 175.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ALA . . . . . 0.963 ' CB ' ' CD1' ' B' ' 95' ' ' LEU . . . -58.15 147.63 29.45 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 127.452 2.97 . . . . 13.56 109.72 176.253 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.69 160.37 31.83 Favored Glycine 0 N--CA 1.514 3.866 0 N-CA-C 105.299 -3.12 . . . . 14.73 105.299 -176.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . 0.759 ' N ' ' CD1' ' B' ' 87' ' ' ILE . 0.7 OUTLIER -138.47 127.17 23.55 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 119.57 1.685 . . . . 12.8 113.791 -174.371 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . 0.326 12.5 mt -65.78 144.76 56.67 Favored 'General case' 0 N--CA 1.496 1.828 2 O-C-N 130.187 4.679 . . . . 12.42 105.43 -177.198 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . 0.303 0.0 OUTLIER -105.71 -71.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.75 2 CA-C-N 108.022 -4.172 . . . . 15.28 99.985 174.865 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -129.5 131.89 46.75 Favored 'General case' 0 C--N 1.308 -1.204 1 CA-C-O 130.756 5.074 . . . . 15.49 121.043 -179.16 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.24 -148.16 19.47 Favored Glycine 0 N--CA 1.436 -1.303 2 O-C-N 114.787 -4.946 . . . . 16.91 124.955 177.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' B' ' 56' ' ' ALA . 5.2 Cg_endo -83.96 -103.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.143 1 N-CA-C 99.25 -4.942 . . . . 16.03 99.25 -177.345 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' B' ' 55' ' ' PRO . . . 150.51 129.37 0.0 OUTLIER Pre-proline 0 C--N 1.288 -2.109 1 N-CA-C 99.318 -4.327 . . . . 15.48 99.318 -178.848 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PRO . . . . . 0.648 ' O ' ' O ' ' B' ' 112' ' ' HOH . 25.8 Cg_exo -59.5 142.38 98.83 Favored 'Trans proline' 0 C--N 1.315 -1.235 1 O-C-N 133.673 6.617 . . . . 18.43 119.411 178.926 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.05 122.61 18.59 Favored 'General case' 0 C--N 1.316 -0.878 1 N-CA-C 99.988 -4.078 . . . . 13.97 99.988 177.517 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' B' ' 114' ' ' HOH . 4.4 mt-10 -124.39 15.49 8.96 Favored 'General case' 0 C--N 1.317 -0.819 1 O-C-N 132.251 5.969 . . . . 14.9 110.496 -177.135 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.83 72.75 10.1 Favored 'General case' 0 C--O 1.271 2.199 0 N-CA-C 102.515 -3.143 . . . . 21.02 102.515 177.279 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLN . . . . . 0.664 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -160.03 -58.77 0.06 Allowed 'General case' 0 C--N 1.262 -3.236 0 O-C-N 127.21 2.819 . . . . 22.66 111.273 -176.88 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' SER . . . . . 1.071 ' OG ' ' CG1' ' B' ' 78' ' ' VAL . 60.0 p -127.92 79.89 1.92 Allowed 'General case' 0 C--O 1.264 1.868 1 CA-C-O 110.293 -4.67 . . . . 21.12 103.304 -179.772 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' PHE . . . . . 0.974 ' CE2' ' O ' ' B' ' 65' ' ' ASP 0.64 0.5 OUTLIER -97.07 -99.1 0.19 Allowed 'General case' 0 N--CA 1.502 2.148 3 C-N-CA 100.644 -8.422 . . . . 18.53 103.534 179.669 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . 0.631 ' CD1' ' N ' ' B' ' 63' ' ' PHE . 0.4 OUTLIER 59.55 -11.73 0.04 OUTLIER 'General case' 0 C--O 1.286 3.014 0 CA-C-N 125.671 3.85 . . . . 20.32 113.916 176.876 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ASP . . . . . 0.974 ' O ' ' CE2' ' B' ' 63' ' ' PHE 0.409 0.8 OUTLIER -123.98 80.87 1.86 Allowed 'General case' 0 N--CA 1.487 1.403 2 CA-C-O 136.954 8.026 . . . . 15.15 97.488 174.372 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . 0.289 4.5 m-20 -30.96 153.3 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 4 CA-C-O 141.12 10.01 . . . . 16.15 129.422 -170.472 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . 0.757 ' O ' ' CG ' ' B' ' 68' ' ' GLN 0.292 6.0 t0 -21.98 82.2 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 3 C-N-CA 138.245 6.618 . . . . 18.13 117.325 -169.769 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLN . . . . . 0.757 ' CG ' ' O ' ' B' ' 67' ' ' ASP 0.314 9.3 mm-40 -178.25 38.74 0.0 OUTLIER 'General case' 0 C--O 1.274 2.346 2 CA-C-O 131.066 5.222 . . . . 22.48 109.941 176.567 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . 0.371 1.3 pp -60.26 -34.27 56.68 Favored 'Isoleucine or valine' 0 C--O 1.285 2.949 1 CA-C-N 104.903 -5.59 . . . . 19.42 106.314 -178.943 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLN . . . . . 0.597 ' O ' ' CG ' ' B' ' 70' ' ' GLN 0.497 3.8 tt0 -49.08 -55.1 13.2 Favored 'General case' 0 N--CA 1.395 -3.212 2 C-N-CA 154.164 12.986 . . . . 22.0 117.115 -179.251 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ALA . . . . . 0.429 ' N ' ' CG ' ' B' ' 70' ' ' GLN . . . -57.83 -31.69 66.87 Favored 'General case' 0 N--CA 1.479 1.001 2 O-C-N 135.182 7.801 . . . . 14.73 100.36 -179.799 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' B' ' 70' ' ' GLN . . . 125.34 15.67 3.0 Favored Glycine 0 CA--C 1.551 2.306 0 N-CA-C 105.251 -3.14 . . . . 13.79 105.251 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . 0.262 87.2 m-85 -76.51 133.15 39.85 Favored 'General case' 0 N--CA 1.492 1.639 2 CA-C-O 134.692 6.949 . . . . 17.22 105.126 179.516 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 53.0 mt -116.4 119.97 63.53 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.636 3 C-N-CA 147.224 10.21 . . . . 15.97 125.895 172.274 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LEU . . . . . 0.834 ' CD2' ' CE1' ' B' ' 63' ' ' PHE . 3.9 mm? -93.26 89.48 6.42 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 117.83 -3.044 . . . . 14.94 114.701 176.345 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' THR . . . . . 0.697 ' O ' ' CG2' ' B' ' 76' ' ' THR . 2.9 m -46.76 -13.47 0.03 OUTLIER 'General case' 0 N--CA 1.421 -1.91 2 N-CA-C 123.133 4.494 . . . . 14.59 123.133 -176.749 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.14 -15.65 23.18 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 129.697 3.199 . . . . 15.92 108.774 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . 1.071 ' CG1' ' OG ' ' B' ' 62' ' ' SER . 0.3 OUTLIER -127.54 6.74 3.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 2 N-CA-C 123.881 4.771 . . . . 14.11 123.881 -176.826 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.32 132.16 42.09 Favored 'General case' 0 C--N 1.306 -1.317 1 C-N-CA 135.59 5.556 . . . . 15.26 117.93 -177.454 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -114.57 143.86 30.73 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 117.454 -3.279 . . . . 15.32 105.831 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -56.48 157.16 19.35 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 N-CA-C 103.937 -3.14 . . . . 16.09 103.937 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.5 m -133.33 -16.76 2.38 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 102.911 -2.996 . . . . 14.22 102.911 -178.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 178.99 -170.04 41.66 Favored Glycine 0 N--CA 1.466 0.667 1 O-C-N 132.181 5.926 . . . . 14.44 113.424 -177.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -80.66 117.85 21.71 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.989 -1.856 . . . . 29.99 105.989 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 1.1 p -137.77 168.68 19.2 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 125.394 1.684 . . . . 15.33 113.982 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 73.5 t -118.4 122.53 69.76 Favored 'Isoleucine or valine' 0 C--O 1.272 2.271 0 CA-C-O 112.579 -3.582 . . . . 12.95 107.381 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ILE . . . . . 0.759 ' CD1' ' N ' ' B' ' 50' ' ' LYS 0.405 0.1 OUTLIER -142.69 134.05 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.467 0 CA-C-N 122.515 2.416 . . . . 7.99 113.315 -176.931 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' GLU . . . . . 0.737 ' OE1' ' NZ ' ' B' ' 91' ' ' LYS . 0.6 OUTLIER -77.86 131.25 37.45 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 106.165 -1.791 . . . . 18.05 106.165 175.944 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' THR . . . . . 0.878 ' CG2' ' CA ' ' B' ' 9' ' ' THR . 0.1 OUTLIER -73.79 -67.62 0.58 Allowed 'General case' 0 N--CA 1.391 -3.391 3 CA-C-O 107.188 -6.149 . . . . 17.35 121.869 -171.731 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HIS . . . . . 0.661 ' CD2' ' CD ' ' B' ' 36' ' ' PRO . 28.9 m80 -91.38 106.23 18.35 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 128.518 3.636 . . . . 18.4 108.201 -176.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LYS . . . . . 0.737 ' NZ ' ' OE1' ' B' ' 88' ' ' GLU . 2.6 mmtp -128.8 25.64 5.62 Favored 'General case' 0 C--O 1.269 2.13 1 O-C-N 116.208 -4.058 . . . . 16.34 112.08 -174.758 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -101.84 89.33 3.63 Favored 'General case' 0 N--CA 1.5 2.067 2 CA-C-O 138.123 8.582 . . . . 13.69 107.537 175.955 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLU . . . . . 0.663 ' O ' ' CB ' ' B' ' 94' ' ' ALA 0.327 44.2 mt-10 157.87 85.21 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 2 C-N-CA 144.397 9.079 . . . . 18.97 100.481 177.377 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ALA . . . . . 0.778 ' N ' ' CE2' ' B' ' 96' ' ' TYR 0.322 . . 165.31 -49.97 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.678 2 CA-C-O 130.704 5.049 . . . . 15.82 101.706 -179.13 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' LEU . . . . . 0.963 ' CD1' ' CB ' ' B' ' 48' ' ' ALA . 1.1 mt -69.27 -88.71 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 1 CA-C-N 107.227 -4.533 . . . . 18.23 108.4 171.424 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' TYR . . . . . 0.778 ' CE2' ' N ' ' B' ' 94' ' ' ALA . 11.1 m-30 . . . . . 0 C--O 1.269 2.084 0 CA-C-O 114.089 -2.862 . . . . 20.7 114.559 -176.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ALA . . . . . 0.426 ' O ' ' OG ' ' C' ' 2' ' ' SER . . . . . . . . 0 C--O 1.243 0.744 1 CA-C-O 110.896 -4.383 . . . . 16.5 115.571 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' C' ' 1' ' ' ALA . 61.3 m 175.99 115.74 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 123.062 2.665 . . . . 19.69 108.749 175.188 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -111.04 141.85 43.98 Favored 'General case' 0 C--N 1.311 -1.078 2 CA-C-O 137.663 8.363 . . . . 15.15 123.376 -175.272 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LYS . . . . . 0.681 ' CG ' ' OD2' ' C' ' 84' ' ' ASP 0.306 0.0 OUTLIER -69.28 114.84 7.9 Favored 'General case' 0 C--O 1.258 1.55 2 O-C-N 115.209 -4.682 . . . . 14.99 104.161 173.912 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' VAL . . . . . 0.617 ' CG1' ' CD1' ' C' ' 16' ' ' ILE 0.251 0.1 OUTLIER -125.39 107.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 119.948 -1.72 . . . . 12.98 109.703 176.816 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.06 124.66 34.97 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 128.165 3.415 . . . . 13.91 102.803 179.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.33 131.07 53.99 Favored 'General case' 0 CA--C 1.551 0.986 1 N-CA-C 100.086 -4.042 . . . . 15.03 100.086 176.273 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . 0.725 ' NZ ' ' O ' ' C' ' 103' ' ' HOH . 31.9 mttt -111.03 91.35 3.63 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 103.308 -2.849 . . . . 18.91 103.308 179.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' THR . . . . . 0.527 ' CG2' ' OG1' ' C' ' 89' ' ' THR . 0.9 OUTLIER -104.46 164.11 15.89 Favored Pre-proline 0 C--N 1.299 -1.59 0 CA-C-O 127.302 3.43 . . . . 14.69 114.299 177.63 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -48.19 -34.62 24.57 Favored 'Trans proline' 0 C--O 1.255 1.368 0 C-N-CA 123.904 3.07 . . . . 17.49 116.891 178.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.06 -27.81 28.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 130.539 3.536 . . . . 21.19 109.846 179.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.51 170.45 31.42 Favored Glycine 0 N--CA 1.489 2.213 0 C-N-CA 115.404 -3.284 . . . . 19.38 116.204 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ASP . . . . . 0.578 ' OD1' ' CG ' ' C' ' 8' ' ' LYS . 8.4 m-20 -93.88 105.61 17.62 Favored 'General case' 0 C--N 1.305 -1.359 2 CA-C-O 108.095 -5.717 . . . . 17.41 99.047 179.539 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.84 133.92 55.12 Favored 'General case' 0 C--N 1.304 -1.407 1 O-C-N 130.1 4.625 . . . . 20.5 116.446 -179.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . 0.258 1.8 t -101.43 114.13 39.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 O-C-N 126.212 2.195 . . . . 13.82 115.297 178.684 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ILE . . . . . 0.617 ' CD1' ' CG1' ' C' ' 5' ' ' VAL 0.379 0.0 OUTLIER -107.51 163.07 5.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.571 0 CA-C-O 127.081 3.324 . . . . 16.04 103.338 174.507 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 80.9 m -118.04 145.26 44.92 Favored 'General case' 0 C--O 1.266 1.953 1 N-CA-C 95.913 -5.588 . . . . 18.99 95.913 -177.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' VAL . . . . . 0.503 ' CG1' ' CG1' ' C' ' 5' ' ' VAL . 0.7 OUTLIER -160.21 123.4 1.93 Allowed Pre-proline 0 N--CA 1.495 1.813 1 O-C-N 130.848 5.092 . . . . 17.79 103.341 -177.214 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -62.75 142.61 89.75 Favored 'Trans proline' 0 C--O 1.254 1.295 0 O-C-N 125.683 2.412 . . . . 15.95 112.012 175.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -39.26 -19.58 0.01 OUTLIER 'General case' 0 C--O 1.268 2.043 0 C-N-CA 129.356 3.062 . . . . 15.59 112.255 173.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . 0.262 2.8 p30 -114.19 16.52 18.01 Favored 'General case' 0 C--O 1.267 1.978 1 CA-C-O 108.135 -5.698 . . . . 14.46 116.521 177.47 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -113.93 155.85 25.05 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 128.161 3.413 . . . . 19.32 109.038 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' TYR . . . . . 0.821 ' OH ' ' NE2' ' C' ' 61' ' ' GLN . 13.7 m-85 -74.79 137.3 41.84 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 106.475 -1.676 . . . . 14.96 106.475 178.686 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 mt -57.73 -37.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 124.439 2.066 . . . . 13.58 106.054 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.41 24.55 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 127.309 3.433 . . . . 18.35 109.994 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ASP . . . . . 0.413 ' OD2' ' CB ' ' C' ' 23' ' ' TYR . 0.5 OUTLIER -52.71 -44.81 66.58 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 114.138 -2.839 . . . . 22.99 106.47 -172.53 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.41 -26.75 20.61 Favored 'Isoleucine or valine' 0 C--O 1.273 2.302 1 O-C-N 131.03 5.206 . . . . 15.75 110.391 -178.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . 0.365 . . -64.02 -54.32 36.06 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 113.519 -3.272 . . . . 13.13 104.458 -179.13 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.82 -38.31 67.22 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 128.518 2.727 . . . . 12.23 110.274 -175.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' GLU . . . . . 0.678 ' CB ' ' O ' ' C' ' 143' ' ' HOH . 15.6 tp10 -63.77 -79.08 0.04 OUTLIER 'General case' 0 C--O 1.259 1.574 0 O-C-N 127.795 3.184 . . . . 19.35 103.708 -176.718 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLU . . . . . 0.641 ' C ' ' O ' ' C' ' 30' ' ' GLU . 1.5 mp0 -30.68 -48.53 0.11 Allowed 'General case' 0 C--O 1.263 1.8 1 O-C-N 130.593 4.933 . . . . 16.51 108.432 176.161 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 30' ' ' GLU . . . 134.23 15.23 1.16 Allowed Glycine 0 C--O 1.266 2.132 0 O-C-N 116.829 -3.669 . . . . 15.02 118.469 178.77 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.65 -178.69 5.6 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 128.196 3.855 . . . . 19.2 111.876 -178.863 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.47 157.42 16.82 Favored 'General case' 0 C--O 1.252 1.191 1 CA-C-N 106.92 -4.673 . . . . 21.93 110.896 -178.889 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' LEU . . . . . 0.614 ' CD1' ' CB ' ' C' ' 47' ' ' CYS 0.545 2.6 tm? 176.13 109.2 0.11 Allowed Pre-proline 0 CA--C 1.591 2.537 2 C-N-CA 134.994 5.317 . . . . 18.26 98.305 176.533 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -48.79 115.36 1.61 Allowed 'Trans proline' 0 C--N 1.317 -1.109 1 O-C-N 133.016 6.271 . . . . 13.98 111.595 175.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' C' ' 111' ' ' HOH . 53.1 p90 -136.73 174.71 10.32 Favored 'General case' 0 N--CA 1.487 1.387 1 CA-C-N 129.44 5.564 . . . . 17.42 104.611 176.032 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' SER . . . . . . . . . . . . 0.287 92.1 p -145.2 -81.37 0.16 Allowed 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 114.561 -2.638 . . . . 15.81 105.518 176.647 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -64.29 -18.2 64.36 Favored 'General case' 0 C--O 1.251 1.163 1 O-C-N 132.384 6.053 . . . . 14.3 115.294 -174.902 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' C' ' 112' ' ' HOH 0.289 0.1 OUTLIER 56.9 6.09 0.28 Allowed 'General case' 0 C--N 1.3 -1.576 1 CA-C-O 111.143 -4.265 . . . . 17.32 110.297 179.436 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.34 5.09 11.82 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 129.956 3.302 . . . . 13.21 115.416 -172.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' GLY . . . . . 1.171 ' CA ' ' S2 ' ' C' ' 97' ' ' FES . . . 45.91 51.97 10.24 Favored Glycine 0 C--N 1.292 -1.9 0 C-N-CA 128.213 2.816 . . . . 16.45 109.057 176.836 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ALA . . . . . 0.468 ' N ' ' S2 ' ' C' ' 97' ' ' FES 0.299 . . -135.94 33.15 2.91 Favored 'General case' 0 N--CA 1.505 2.316 1 CA-C-O 129.666 4.555 . . . . 15.96 106.1 178.363 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -153.36 -175.93 5.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 109.62 -3.446 . . . . 13.66 107.578 -178.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 10.2 p -127.14 0.49 6.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 117.236 -3.415 . . . . 16.36 115.378 -177.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 1.3 p -62.89 -37.96 88.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 123.152 2.706 . . . . 18.61 113.965 -174.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' CYS . . . . . 0.614 ' CB ' ' CD1' ' C' ' 35' ' ' LEU . 15.9 p -84.91 24.0 1.12 Allowed 'General case' 0 C--O 1.254 1.332 0 CA-C-O 117.56 -1.21 . . . . 15.33 109.847 176.659 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.83 135.16 52.13 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 120.558 1.527 . . . . 6.11 110.841 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . -125.17 170.26 17.11 Favored Glycine 0 C--N 1.276 -2.803 1 C-N-CA 134.878 5.99 . . . . 11.63 112.771 174.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.96 123.72 12.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 118.013 -3.051 . . . . 19.57 111.404 173.635 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' C' ' 115' ' ' HOH . 0.0 OUTLIER -66.77 134.14 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 113.619 -3.086 . . . . 15.81 105.128 -177.776 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . 0.259 2.3 t -98.82 -70.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 1 O-C-N 136.493 8.621 . . . . 15.09 103.326 177.226 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' SER . . . . . 0.669 ' CB ' ' O ' ' C' ' 131' ' ' HOH . 10.8 p -131.73 174.01 10.57 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 114.111 -3.035 . . . . 15.82 104.065 174.007 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.56 -148.96 17.78 Favored Glycine 1 N--CA 1.523 4.497 3 N-CA-C 100.726 -4.95 . . . . 18.09 100.726 179.377 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -106.45 -92.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.268 -3.669 2 O-C-N 131.33 5.384 . . . . 20.81 104.348 179.353 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' ALA . . . . . 0.418 ' O ' ' OG1' ' C' ' 82' ' ' THR . . . 173.81 129.45 0.11 Allowed Pre-proline 0 C--O 1.261 1.658 0 N-CA-C 104.821 -2.288 . . . . 14.98 104.821 -179.616 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' PRO . . . . . . . . . . . . 0.422 2.9 Cg_exo -73.83 152.65 47.3 Favored 'Trans proline' 0 N--CA 1.503 2.064 1 O-C-N 128.718 4.009 . . . . 17.18 103.809 -173.738 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' C' ' 80' ' ' TYR 0.257 9.2 p-10 -81.84 120.85 25.7 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 127.855 3.222 . . . . 20.08 103.998 -176.487 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' GLU . . . . . 0.6 ' OE1' ' CD1' ' C' ' 69' ' ' ILE . 3.9 mt-10 -114.56 2.25 14.51 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 118.338 2.718 . . . . 19.36 118.338 -179.333 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.71 62.86 1.54 Allowed 'General case' 0 C--O 1.254 1.292 1 CA-C-O 107.678 -5.915 . . . . 20.93 105.835 177.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' GLN . . . . . 0.821 ' NE2' ' OH ' ' C' ' 23' ' ' TYR . 21.5 tt0 -160.47 -59.9 0.06 Allowed 'General case' 0 N--CA 1.502 2.134 2 O-C-N 136.259 8.474 . . . . 17.95 99.942 -177.281 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' C' ' 63' ' ' PHE 0.362 16.0 p -125.32 134.24 52.3 Favored 'General case' 0 N--CA 1.504 2.25 2 CA-C-O 135.201 7.191 . . . . 21.16 103.895 174.698 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' PHE . . . . . 1.246 ' O ' ' N ' ' C' ' 65' ' ' ASP . 0.2 OUTLIER -162.71 -92.77 0.02 OUTLIER 'General case' 0 C--N 1.367 1.333 2 CA-C-N 102.733 -6.576 . . . . 16.62 122.381 177.338 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' LEU . . . . . 0.78 ' C ' ' O ' ' C' ' 63' ' ' PHE 0.403 0.2 OUTLIER 23.78 14.18 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 115.57 -2.157 . . . . 15.13 107.213 -172.843 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' ASP . . . . . 1.246 ' N ' ' O ' ' C' ' 63' ' ' PHE 0.372 9.8 t70 -108.98 113.25 25.97 Favored 'General case' 0 N--CA 1.494 1.748 1 N-CA-C 98.664 -4.569 . . . . 18.05 98.664 171.278 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' ASP . . . . . . . . . . . . 0.529 8.1 m-20 -0.01 105.28 0.01 OUTLIER 'General case' 0 C--N 1.281 -2.41 2 C-N-CA 142.244 8.217 . . . . 17.54 112.189 -171.032 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' ASP . . . . . 0.655 ' O ' ' OE1' ' C' ' 68' ' ' GLN . 1.8 t0 -46.71 68.9 0.0 OUTLIER 'General case' 0 C--O 1.263 1.767 2 C-N-CA 143.133 8.573 . . . . 12.91 119.637 -179.992 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' GLN . . . . . 0.655 ' OE1' ' O ' ' C' ' 67' ' ' ASP . 0.8 OUTLIER -160.46 36.85 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 1 CA-C-O 138.945 8.974 . . . . 20.58 109.82 -178.126 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' ILE . . . . . 0.748 ' O ' ' N ' ' C' ' 73' ' ' TYR 0.55 0.1 OUTLIER -39.05 -39.15 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.852 1 CA-C-N 98.592 -8.458 . . . . 31.69 100.56 178.548 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' GLN . . . . . 0.761 ' C ' ' N ' ' C' ' 72' ' ' GLY . 21.0 tt0 -57.69 -33.64 68.58 Favored 'General case' 0 C--N 1.289 -2.064 3 C-N-CA 147.127 10.171 . . . . 23.47 123.947 178.395 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' C' ' 70' ' ' GLN 0.354 . . -55.15 -22.04 15.61 Favored 'General case' 0 CA--C 1.577 1.986 3 N-CA-C 96.36 -5.422 . . . . 15.73 96.36 171.381 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' GLY . . . . . 0.761 ' N ' ' C ' ' C' ' 70' ' ' GLN . . . 119.36 29.93 1.66 Allowed Glycine 0 CA--C 1.536 1.387 0 N-CA-C 104.325 -3.51 . . . . 14.26 104.325 -178.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' TYR . . . . . 0.748 ' N ' ' O ' ' C' ' 69' ' ' ILE . 0.2 OUTLIER -84.41 107.42 16.66 Favored 'General case' 0 CA--C 1.508 -0.662 1 CA-C-O 128.901 4.191 . . . . 25.52 112.68 -178.565 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' ILE . . . . . 0.617 ' CD1' ' CG2' ' C' ' 87' ' ' ILE 0.316 4.5 mt -97.05 151.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 1 N-CA-C 123.057 4.465 . . . . 15.31 123.057 175.726 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' LEU . . . . . . . . . . . . . 54.4 mt -117.91 107.78 14.5 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 125.158 3.617 . . . . 14.49 106.446 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' THR . . . . . 0.544 ' OG1' ' CD1' ' C' ' 35' ' ' LEU . 38.4 p -57.85 -36.54 72.45 Favored 'General case' 0 C--O 1.269 2.111 0 N-CA-C 120.412 3.486 . . . . 15.85 120.412 -174.295 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' CYS . . . . . . . . . . . . . 25.7 p -61.65 -23.58 66.15 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 113.882 -2.961 . . . . 14.24 111.085 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 78' ' ' VAL . . . . . 0.669 ' O ' ' O ' ' C' ' 117' ' ' HOH 0.312 24.3 t -123.69 23.43 3.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 O-C-N 126.754 2.534 . . . . 17.83 114.259 -179.717 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.04 43.53 Favored 'General case' 0 C--O 1.243 0.711 2 CA-C-O 135.819 7.485 . . . . 16.96 121.828 174.553 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 80' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' C' ' 58' ' ' ASP . 17.3 m-85 -104.83 125.25 34.32 Favored Pre-proline 0 C--O 1.264 1.841 3 O-C-N 114.652 -5.03 . . . . 18.36 107.106 173.558 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -67.57 158.82 55.38 Favored 'Trans proline' 0 C--O 1.251 1.125 0 N-CA-C 107.284 -1.852 . . . . 15.52 107.284 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 82' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 130' ' ' HOH . 9.6 m -114.75 -23.87 8.99 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 129.093 2.957 . . . . 16.43 112.763 -176.932 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.77 177.16 48.15 Favored Glycine 0 N--CA 1.43 -1.736 1 C-N-CA 140.457 8.646 . . . . 15.52 110.887 -178.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' ASP . . . . . 0.681 ' OD2' ' CG ' ' C' ' 4' ' ' LYS . 4.2 m-20 -64.84 154.09 38.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.266 -2.314 . . . . 18.02 107.414 -177.671 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 85' ' ' CYS . . . . . . . . . . . . . 1.7 p -162.4 164.55 27.19 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 111.929 -3.891 . . . . 24.16 112.373 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 86' ' ' VAL . . . . . . . . . . . . 0.297 0.8 OUTLIER -117.0 137.22 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 1 O-C-N 131.455 5.472 . . . . 16.54 102.978 175.852 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 87' ' ' ILE . . . . . 0.617 ' CG2' ' CD1' ' C' ' 74' ' ' ILE . 0.0 OUTLIER -139.01 146.15 26.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 O-C-N 127.217 2.823 . . . . 16.73 116.165 -175.646 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . 0.309 22.4 mt-10 -96.76 132.11 42.79 Favored 'General case' 0 N--CA 1.518 2.948 0 N-CA-C 105.423 -2.065 . . . . 22.5 105.423 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 89' ' ' THR . . . . . 0.527 ' OG1' ' CG2' ' C' ' 9' ' ' THR . 46.4 p -109.32 -26.07 10.23 Favored 'General case' 0 C--O 1.275 2.444 1 N-CA-C 126.443 5.72 . . . . 13.51 126.443 -172.085 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 90' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.35 57.88 0.75 Allowed 'General case' 0 C--N 1.286 -2.187 0 O-C-N 116.507 -3.87 . . . . 18.64 101.923 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.37 40.12 1.6 Allowed 'General case' 0 C--O 1.258 1.511 0 O-C-N 124.963 1.415 . . . . 15.98 113.766 -175.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 92' ' ' GLU . . . . . 0.607 ' O ' ' CB ' ' C' ' 93' ' ' GLU . 0.0 OUTLIER -99.97 74.87 1.83 Allowed 'General case' 0 C--O 1.26 1.613 1 CA-C-O 129.447 4.451 . . . . 15.45 111.354 177.046 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 93' ' ' GLU . . . . . 0.607 ' CB ' ' O ' ' C' ' 92' ' ' GLU . 0.9 OUTLIER 167.29 58.41 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 1 CA-C-O 132.267 5.794 . . . . 19.93 104.156 177.365 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 94' ' ' ALA . . . . . 0.641 ' CB ' ' OH ' ' C' ' 73' ' ' TYR . . . -155.93 -40.33 0.08 Allowed 'General case' 0 C--O 1.25 1.099 1 C-N-CA 133.386 4.674 . . . . 22.32 103.066 179.581 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 95' ' ' LEU . . . . . 0.515 ' CD2' ' CD1' ' C' ' 73' ' ' TYR 0.356 0.2 OUTLIER -85.08 -53.19 5.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 117.371 -1.732 . . . . 23.88 106.793 178.409 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . 0.304 1.3 m-85 . . . . . 0 N--CA 1.434 -1.256 1 C-N-CA 134.442 5.097 . . . . 23.11 108.92 179.038 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ALA . . . . . 0.6 ' O ' ' CA ' ' D' ' 19' ' ' PRO . . . . . . . . 0 C--O 1.21 -0.984 1 CA-C-O 131.227 5.299 . . . . 18.56 107.077 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . 0.348 0.3 OUTLIER -122.62 80.24 1.72 Allowed 'General case' 0 C--N 1.295 -1.774 1 CA-C-O 109.756 -4.926 . . . . 24.01 112.183 -176.83 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' TYR . . . . . 0.414 ' CE2' ' N ' ' D' ' 1' ' ' ALA . 13.9 m-85 -110.15 145.1 37.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 128.3 3.5 . . . . 18.59 106.407 -179.444 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.3 117.18 24.94 Favored 'General case' 0 C--O 1.262 1.74 1 CA-C-N 108.121 -4.127 . . . . 15.75 109.14 177.355 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . 0.258 0.3 OUTLIER -129.14 131.47 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 127.582 3.051 . . . . 14.35 107.977 177.65 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' THR . . . . . . . . . . . . 0.252 0.1 OUTLIER -110.06 122.97 48.84 Favored 'General case' 0 C--O 1.251 1.172 1 O-C-N 130.541 4.9 . . . . 8.89 111.244 -176.847 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' LEU . . . . . 0.5 ' CD2' ' CG1' ' D' ' 16' ' ' ILE . 0.9 OUTLIER -91.41 101.96 14.64 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 110.2 -3.182 . . . . 17.6 110.349 -175.063 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' LYS . . . . . 0.449 ' CE ' ' CB ' ' D' ' 86' ' ' VAL . 0.1 OUTLIER -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 102.915 -2.995 . . . . 18.63 102.915 176.918 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' D' ' 12' ' ' GLY . 7.1 p -97.59 159.38 31.19 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.078 -2.328 . . . . 17.82 108.03 177.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -57.46 -27.18 75.06 Favored 'Trans proline' 0 C--N 1.293 -2.362 0 O-C-N 127.376 3.303 . . . . 22.18 106.409 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -81.37 0.03 OUTLIER 'General case' 0 C--O 1.269 2.088 1 N-CA-C 99.816 -4.142 . . . . 19.79 99.816 175.666 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' GLY . . . . . 0.628 ' O ' ' OG1' ' D' ' 9' ' ' THR . . . -164.88 -161.99 15.0 Favored Glycine 0 C--O 1.215 -1.052 0 CA-C-O 126.55 3.305 . . . . 17.18 114.084 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -87.82 86.61 7.18 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 111.951 -3.88 . . . . 13.87 101.612 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.13 130.34 35.1 Favored 'General case' 0 C--N 1.294 -1.822 1 O-C-N 133.64 6.837 . . . . 20.23 105.664 177.159 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' VAL . . . . . 0.778 ' C ' ' CG2' ' D' ' 16' ' ' ILE . 12.7 t -108.8 120.25 59.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.348 0 CA-C-N 121.688 2.04 . . . . 17.59 107.398 178.529 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ILE . . . . . 0.778 ' CG2' ' C ' ' D' ' 15' ' ' VAL 0.636 0.7 OUTLIER -117.05 155.45 18.59 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.193 0 N-CA-C 103.553 -2.758 . . . . 15.59 103.553 -178.563 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . 0.306 89.0 m -119.44 116.27 25.79 Favored 'General case' 0 N--CA 1.427 -1.579 0 C-N-CA 130.28 3.432 . . . . 14.3 102.375 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . 0.363 0.2 OUTLIER -135.04 128.95 18.83 Favored Pre-proline 0 N--CA 1.443 -0.781 1 O-C-N 130.479 4.862 . . . . 19.08 107.009 -175.381 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' PRO . . . . . 0.6 ' CA ' ' O ' ' D' ' 1' ' ' ALA . 41.0 Cg_endo -72.18 149.59 52.08 Favored 'Trans proline' 0 C--O 1.271 2.153 0 CA-C-N 109.161 -2.835 . . . . 18.27 104.832 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ASP . . . . . 0.546 ' CG ' ' N ' ' D' ' 1' ' ' ALA . 31.1 p-10 -63.07 -20.91 65.79 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 128.332 3.52 . . . . 23.46 114.033 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' D' ' 21' ' ' ASP . 17.8 p-10 -92.4 17.8 9.36 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 115.072 -2.651 . . . . 18.3 107.513 178.176 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' GLU . . . . . 1.0 ' CG ' ' O ' ' D' ' 148' ' ' HOH . 2.2 tt0 -136.23 129.62 31.86 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 120.27 3.433 . . . . 18.84 120.27 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' TYR . . . . . 0.574 ' CE1' ' CE1' ' D' ' 80' ' ' TYR . 17.7 m-85 -55.13 144.36 24.25 Favored 'General case' 0 C--O 1.266 1.943 0 CA-C-O 116.685 -1.626 . . . . 21.39 111.86 -176.062 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -59.14 -38.11 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 O-C-N 125.452 1.72 . . . . 11.83 112.976 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' LEU . . . . . 0.653 ' O ' ' N ' ' D' ' 28' ' ' ALA . 0.4 OUTLIER -65.21 -55.53 18.02 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 119.01 -2.306 . . . . 17.31 106.611 -178.561 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ASP . . . . . 0.544 ' C ' ' O ' ' D' ' 25' ' ' LEU . 0.8 OUTLIER -39.55 -64.28 0.49 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 104.529 -2.397 . . . . 20.01 104.529 -176.826 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . 0.25 1.6 t -57.87 -24.16 22.52 Favored 'Isoleucine or valine' 0 C--O 1.269 2.102 1 O-C-N 133.452 6.72 . . . . 14.99 114.355 179.707 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' ALA . . . . . 0.653 ' N ' ' O ' ' D' ' 25' ' ' LEU . . . -59.6 -47.81 84.13 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 119.002 -2.311 . . . . 14.5 109.091 -177.121 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -67.5 -66.16 0.6 Allowed 'General case' 0 C--O 1.252 1.204 3 CA-C-O 110.859 -4.401 . . . . 17.36 113.459 -177.086 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.18 -43.28 52.34 Favored 'General case' 0 N--CA 1.486 1.338 1 O-C-N 134.543 7.402 . . . . 18.92 108.861 177.465 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' GLU . . . . . . . . . . . . 0.289 63.1 mm-40 -58.37 -55.61 32.8 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 113.035 -3.364 . . . . 15.37 109.328 -179.402 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.64 -16.03 0.55 Allowed Glycine 0 N--CA 1.427 -1.95 0 N-CA-C 120.551 2.98 . . . . 14.44 120.551 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.97 -154.35 0.18 Allowed 'General case' 0 C--O 1.271 2.213 0 CA-C-O 125.477 2.561 . . . . 17.02 114.332 -179.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' ASP . . . . . 0.681 ' O ' ' CB ' ' D' ' 35' ' ' LEU 0.25 0.0 OUTLIER -130.94 -152.45 0.51 Allowed 'General case' 0 C--O 1.263 1.763 1 CA-C-O 144.057 11.408 . . . . 20.34 115.054 176.036 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' LEU . . . . . 0.718 ' CD1' ' O ' ' D' ' 36' ' ' PRO . 0.3 OUTLIER 153.0 135.65 0.0 OUTLIER Pre-proline 0 C--O 1.258 1.54 1 CA-C-N 97.154 -9.112 . . . . 18.05 101.914 -176.75 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' PRO . . . . . 0.718 ' O ' ' CD1' ' D' ' 35' ' ' LEU . 90.3 Cg_endo -62.95 140.15 77.74 Favored 'Trans proline' 0 C--N 1.313 -1.311 2 N-CA-C 97.123 -5.76 . . . . 16.06 97.123 174.09 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' TYR . . . . . 0.741 ' CE2' ' CG ' ' D' ' 40' ' ' ARG 0.31 0.0 OUTLIER -151.29 153.75 35.43 Favored 'General case' 0 C--N 1.275 -2.634 1 CA-C-O 111.41 -4.138 . . . . 22.23 102.038 -178.158 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' SER . . . . . . . . . . . . 0.293 0.1 OUTLIER -140.11 -90.23 0.18 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 127.021 2.701 . . . . 15.82 105.143 -178.691 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -67.27 -12.15 59.38 Favored 'General case' 0 C--O 1.261 1.683 0 C-N-CA 126.411 1.884 . . . . 15.75 114.066 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' ARG . . . . . 0.741 ' CG ' ' CE2' ' D' ' 37' ' ' TYR . 0.0 OUTLIER 51.87 12.0 0.17 Allowed 'General case' 0 C--O 1.258 1.528 0 O-C-N 126.499 2.374 . . . . 17.39 111.17 177.052 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.95 18.2 9.31 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 118.231 -2.793 . . . . 14.29 116.393 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' GLY . . . . . 0.661 ' CA ' ' OG ' ' D' ' 62' ' ' SER . . . 69.85 31.65 70.06 Favored Glycine 0 C--N 1.309 -0.919 0 O-C-N 124.448 1.093 . . . . 11.75 112.812 -179.934 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' D' ' 44' ' ' CYS . . . -115.25 27.9 9.06 Favored 'General case' 0 C--N 1.284 -2.245 0 C-N-CA 129.773 3.229 . . . . 14.35 108.679 -179.485 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' CYS . . . . . 0.804 ' SG ' ' OG1' ' D' ' 46' ' ' THR 0.294 1.0 OUTLIER -169.26 -177.8 2.97 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 112.203 -3.799 . . . . 14.5 113.969 175.579 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' SER . . . . . . . . . . . . . 65.3 p -91.74 -23.93 19.6 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-N 111.509 -2.587 . . . . 17.07 113.792 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' THR . . . . . 0.804 ' OG1' ' SG ' ' D' ' 44' ' ' CYS 0.254 7.2 p -38.63 -71.93 0.07 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.808 2.568 . . . . 21.45 114.661 -177.778 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' CYS . . . . . . . . . . . . . 31.3 p -76.69 18.77 0.31 Allowed 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 120.194 3.405 . . . . 17.7 120.194 -177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' ALA . . . . . 0.602 ' CB ' ' CD1' ' D' ' 95' ' ' LEU . . . -69.01 130.07 41.72 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 127.583 3.052 . . . . 15.3 113.519 -178.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.8 166.74 20.35 Favored Glycine 0 CA--C 1.548 2.156 1 C-N-CA 133.818 5.485 . . . . 13.39 111.377 178.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' LYS . . . . . 0.406 ' NZ ' ' O ' ' D' ' 71' ' ' ALA . 0.0 OUTLIER -120.23 129.82 54.25 Favored 'General case' 0 C--O 1.259 1.576 0 CA-C-N 110.782 -2.709 . . . . 17.41 114.752 179.594 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' D' ' 53' ' ' SER . 0.1 OUTLIER -76.56 131.36 38.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 127.658 3.099 . . . . 15.4 106.196 175.425 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' VAL . . . . . 0.592 ' CB ' ' CG2' ' D' ' 86' ' ' VAL . 87.7 t -102.3 -74.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 O-C-N 129.002 3.939 . . . . 18.62 110.575 -178.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' D' ' 51' ' ' LEU . 0.2 OUTLIER -128.43 160.65 31.59 Favored 'General case' 0 N--CA 1.481 1.079 1 CA-C-N 108.071 -4.15 . . . . 16.14 103.795 178.545 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.97 -156.03 18.04 Favored Glycine 0 C--O 1.25 1.095 0 N-CA-C 109.347 -1.501 . . . . 18.16 109.347 -177.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -96.28 -71.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.296 -2.184 1 C-N-CA 128.753 6.302 . . . . 17.34 109.843 179.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' ALA . . . . . . . . . . . . . . . 146.94 113.12 0.0 OUTLIER Pre-proline 0 C--N 1.28 -2.455 2 CA-C-O 109.052 -5.261 . . . . 15.24 103.163 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 57' ' ' PRO . . . . . 0.463 ' CD ' ' CD2' ' D' ' 51' ' ' LEU . 9.5 Cg_exo -51.79 156.04 7.29 Favored 'Trans proline' 0 C--O 1.251 1.169 0 O-C-N 127.845 3.55 . . . . 16.17 113.733 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 58' ' ' ASP . . . . . 0.898 ' OD1' ' C ' ' D' ' 58' ' ' ASP . 2.0 t0 -84.21 90.82 7.58 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 125.133 2.397 . . . . 16.74 111.803 178.252 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 59' ' ' GLU . . . . . 0.445 ' OE2' ' N ' ' D' ' 75' ' ' LEU . 4.9 mt-10 -94.58 23.61 5.2 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 127.236 3.398 . . . . 16.75 112.636 -177.525 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 60' ' ' ASP . . . . . 0.911 ' O ' ' CG ' ' D' ' 60' ' ' ASP . 0.0 OUTLIER -75.12 77.16 2.28 Favored 'General case' 0 C--O 1.267 2.015 3 CA-C-O 109.25 -5.167 . . . . 16.04 99.428 176.794 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 172.01 -84.14 0.0 OUTLIER 'General case' 0 C--O 1.263 1.799 1 O-C-N 135.325 7.891 . . . . 19.24 112.111 -175.704 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 62' ' ' SER . . . . . 0.661 ' OG ' ' CA ' ' D' ' 42' ' ' GLY 0.282 22.7 t -100.93 95.64 6.73 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 115.242 -2.583 . . . . 17.42 112.127 -177.653 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 63' ' ' PHE . . . . . 1.193 ' O ' ' N ' ' D' ' 65' ' ' ASP 0.433 0.1 OUTLIER -119.62 -100.86 0.43 Allowed 'General case' 0 C--N 1.371 1.533 3 O-C-N 132.701 6.251 . . . . 16.35 117.781 175.573 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' D' D ' 64' ' ' LEU . . . . . 0.65 ' C ' ' O ' ' D' ' 63' ' ' PHE 0.524 4.6 mt 28.09 14.33 0.0 OUTLIER 'General case' 0 C--O 1.279 2.609 0 O-C-N 128.964 3.915 . . . . 17.45 105.802 -172.014 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 65' ' ' ASP . . . . . 1.193 ' N ' ' O ' ' D' ' 63' ' ' PHE 0.327 27.8 t0 -103.18 130.72 50.46 Favored 'General case' 0 N--CA 1.518 2.94 1 N-CA-C 98.983 -4.451 . . . . 17.83 98.983 174.726 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' D' D ' 66' ' ' ASP . . . . . 0.629 ' N ' ' OD2' ' D' ' 66' ' ' ASP 0.622 0.7 OUTLIER -21.04 111.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 111.755 -2.475 . . . . 17.64 114.881 -168.227 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 67' ' ' ASP . . . . . 0.638 ' OD2' ' C ' ' D' ' 67' ' ' ASP . 49.3 t0 -56.0 107.49 0.36 Allowed 'General case' 0 C--O 1.266 1.922 1 C-N-CA 131.854 4.062 . . . . 18.48 117.295 178.4 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 68' ' ' GLN . . . . . 0.668 ' NE2' ' CA ' ' D' ' 68' ' ' GLN . 1.1 tp-100 169.17 56.54 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 CA-C-O 133.268 6.27 . . . . 20.04 103.388 178.098 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 69' ' ' ILE . . . . . 0.706 ' O ' ' O ' ' D' ' 73' ' ' TYR 0.344 0.6 OUTLIER -53.81 -52.32 36.18 Favored 'Isoleucine or valine' 0 C--O 1.26 1.635 1 CA-C-N 100.996 -7.366 . . . . 26.31 101.598 177.882 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' D' D ' 70' ' ' GLN . . . . . 0.814 ' CG ' ' O ' ' D' ' 70' ' ' GLN 0.327 8.5 tt0 -52.64 -17.62 1.38 Allowed 'General case' 0 C--N 1.298 -1.66 4 O-C-N 143.957 13.286 . . . . 17.38 120.409 -178.528 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' D' D ' 71' ' ' ALA . . . . . 0.406 ' O ' ' NZ ' ' D' ' 50' ' ' LYS . . . -95.45 5.92 50.32 Favored 'General case' 0 C--N 1.305 -1.327 1 N-CA-C 98.793 -4.521 . . . . 13.73 98.793 175.363 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.96 20.81 27.28 Favored Glycine 0 C--O 1.254 1.394 1 CA-C-O 112.814 -4.325 . . . . 16.3 108.557 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 73' ' ' TYR . . . . . 0.706 ' O ' ' O ' ' D' ' 69' ' ' ILE 0.502 1.2 m-85 -91.58 142.33 27.75 Favored 'General case' 0 N--CA 1.499 2.024 3 CA-C-O 134.119 6.676 . . . . 18.01 99.414 176.961 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' D' D ' 74' ' ' ILE . . . . . 0.61 ' CD1' ' O ' ' D' ' 151' ' ' HOH . 1.2 mp -123.88 141.31 44.55 Favored 'Isoleucine or valine' 1 C--N 1.23 -4.598 2 C-N-CA 142.072 8.149 . . . . 16.99 116.261 -179.114 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' D' D ' 75' ' ' LEU . . . . . 0.445 ' N ' ' OE2' ' D' ' 59' ' ' GLU . 2.0 mp -117.26 115.51 25.43 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 104.704 -2.332 . . . . 18.78 104.704 179.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 76' ' ' THR . . . . . 0.653 ' CG2' ' CG ' ' D' ' 35' ' ' LEU 0.347 0.9 OUTLIER -67.31 -29.34 68.89 Favored 'General case' 0 CA--C 1.493 -1.232 0 O-C-N 128.483 3.614 . . . . 15.69 119.441 -175.112 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 77' ' ' CYS . . . . . . . . . . . . . 5.5 p -63.38 -39.79 95.47 Favored 'General case' 0 C--N 1.31 -1.143 2 O-C-N 115.688 -4.382 . . . . 14.96 112.95 178.55 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 78' ' ' VAL . . . . . . . . . . . . 0.282 26.6 m -116.88 21.16 6.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 119.189 3.033 . . . . 17.88 119.189 -178.162 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.55 116.49 29.04 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.267 2.854 . . . . 15.64 112.426 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 80' ' ' TYR . . . . . 0.574 ' CE1' ' CE1' ' D' ' 23' ' ' TYR . 76.6 m-85 -96.84 133.06 24.86 Favored Pre-proline 0 C--N 1.307 -1.255 0 N-CA-C 104.561 -2.385 . . . . 17.76 104.561 179.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 81' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.11 163.66 9.53 Favored 'Trans proline' 0 C--N 1.291 -2.455 0 N-CA-C 107.89 -1.619 . . . . 17.21 107.89 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 47.2 m -131.68 -20.99 2.53 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 116.988 -3.57 . . . . 16.98 115.207 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.24 176.23 47.7 Favored Glycine 0 N--CA 1.484 1.868 2 CA-C-O 108.223 -6.876 . . . . 20.68 100.77 -175.826 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.59 147.7 50.37 Favored 'General case' 0 N--CA 1.491 1.624 1 O-C-N 130.74 4.435 . . . . 13.42 106.518 -173.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 85' ' ' CYS . . . . . . . . . . . . . 2.4 p -160.24 162.11 33.62 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 125.477 3.762 . . . . 11.25 112.202 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 86' ' ' VAL . . . . . 0.592 ' CG2' ' CB ' ' D' ' 52' ' ' VAL . 0.9 OUTLIER -117.89 135.13 59.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 106.055 -1.831 . . . . 9.1 106.055 176.389 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 87' ' ' ILE . . . . . . . . . . . . . 1.5 mt -138.53 142.64 34.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 128.901 2.88 . . . . 14.53 113.87 -175.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 88' ' ' GLU . . . . . . . . . . . . 0.523 7.5 mm-40 -86.4 118.14 25.64 Favored 'General case' 0 C--O 1.269 2.095 1 CA-C-O 110.824 -4.417 . . . . 14.87 103.802 176.878 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' D' D ' 89' ' ' THR . . . . . 0.555 ' OG1' ' ND1' ' D' ' 90' ' ' HIS . 1.0 OUTLIER -76.37 -44.76 34.95 Favored 'General case' 0 C--O 1.283 2.82 1 N-CA-C 122.291 4.182 . . . . 17.41 122.291 -175.159 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' D' D ' 90' ' ' HIS . . . . . 0.555 ' ND1' ' OG1' ' D' ' 89' ' ' THR . 0.0 OUTLIER -107.58 105.92 16.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 125.845 1.966 . . . . 18.15 110.653 -174.908 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.53 47.06 1.29 Allowed 'General case' 0 C--O 1.25 1.082 0 O-C-N 119.104 -2.247 . . . . 15.44 112.147 -176.016 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 92' ' ' GLU . . . . . 0.939 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 6.6 tt0 -101.99 66.77 1.04 Allowed 'General case' 0 C--O 1.247 0.952 0 N-CA-C 100.234 -3.987 . . . . 16.84 100.234 173.786 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.22 49.78 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 100.634 -3.839 . . . . 15.63 100.634 -176.409 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.46 -41.72 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.368 2 O-C-N 130.765 5.041 . . . . 15.15 104.003 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' CB ' ' D' ' 48' ' ' ALA . 5.6 mt -90.69 -44.16 9.67 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 128.308 3.505 . . . . 16.09 113.164 176.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 96' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.292 3.339 1 CA-C-O 106.811 -6.328 . . . . 20.57 119.83 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' FES . . . . . 0.643 ' S2 ' ' CA ' ' A' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' FES . . . . . 0.81 ' S2 ' ' CA ' ' B' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 97' ' ' FES . . . . . 1.171 ' S2 ' ' CA ' ' C' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 97' ' ' FES . . . . . 0.668 ' S2 ' ' N ' ' D' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . 0.723 ' O ' ' OE2' ' A' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . 0.702 ' O ' ' CG ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . 0.514 ' O ' ' O ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . 0.488 ' O ' ' CG2' ' C' ' 82' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . 0.886 ' O ' ' O ' ' B' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . 0.483 ' O ' ' CB ' ' B' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . 0.648 ' O ' ' O ' ' B' ' 57' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . 0.44 ' O ' ' CB ' ' B' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . 0.448 ' O ' ' N ' ' B' ' 59' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . 0.686 ' O ' ' CG ' ' B' ' 29' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . 0.58 ' O ' ' O ' ' B' ' 34' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . 0.688 ' O ' ' CB ' ' B' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' HOH . . . . . 0.594 ' O ' ' NE ' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' HOH . . . . . 0.744 ' O ' ' CD2' ' B' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . 0.725 ' O ' ' NZ ' ' C' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . 0.407 ' O ' ' N ' ' C' ' 37' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . 0.462 ' O ' ' NH2' ' C' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' HOH . . . . . 0.491 ' O ' ' O ' ' C' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' HOH . . . . . 0.669 ' O ' ' O ' ' C' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 130' ' ' HOH . . . . . 0.721 ' O ' ' OE1' ' C' ' 61' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 131' ' ' HOH . . . . . 0.669 ' O ' ' CB ' ' C' ' 53' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 143' ' ' HOH . . . . . 0.678 ' O ' ' CB ' ' C' ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 147' ' ' HOH . . . . . 0.598 ' O ' ' CG ' ' D' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 148' ' ' HOH . . . . . 1.0 ' O ' ' CG ' ' D' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 151' ' ' HOH . . . . . 0.61 ' O ' ' CD1' ' D' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 19' ' ' PRO 0.304 . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 122.293 1.044 . . . . 14.52 108.244 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -166.95 79.86 0.21 Allowed 'General case' 0 N--CA 1.53 3.561 1 O-C-N 115.584 -4.447 . . . . 19.27 109.175 175.866 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . 1.056 ' CD1' ' HA2' ' A' ' 83' ' ' GLY . 20.2 m-85 -82.38 139.24 34.17 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 123.58 1.657 . . . . 14.42 109.719 -178.035 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 8.9 mmtt -78.35 106.18 10.09 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 105.169 -2.16 . . . . 17.81 105.169 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 117' ' ' HOH . 1.6 m -112.48 132.57 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 116.22 -2.192 . . . . 14.89 105.868 177.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . 0.586 ' OG1' HG13 ' A' ' 15' ' ' VAL . 51.8 m -96.4 128.89 43.74 Favored 'General case' 0 C--N 1.273 -2.749 1 C-N-CA 135.906 5.682 . . . . 14.24 108.167 174.764 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 1.117 ' HG ' ' O ' ' A' ' 117' ' ' HOH . 0.0 OUTLIER -117.11 125.77 51.78 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 103.525 -2.768 . . . . 14.87 103.525 177.03 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HB3' ' OD2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.77 94.19 6.48 Favored 'General case' 0 N--CA 1.496 1.85 1 CA-C-O 129.276 4.369 . . . . 14.32 102.018 178.977 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . 1.089 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 27.2 p -99.41 169.72 7.77 Favored Pre-proline 0 C--O 1.268 2.038 0 CA-C-O 127.908 3.718 . . . . 15.52 110.531 179.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . 1.089 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 16.3 Cg_endo -29.14 -79.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 CA-C-N 108.257 -3.158 . . . . 15.65 106.967 177.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . 0.694 ' OD1' ' HG2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -61.3 -14.58 27.81 Favored 'General case' 0 C--N 1.297 -1.684 2 N-CA-C 124.646 5.054 . . . . 21.34 124.646 -175.217 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.88 -177.54 39.65 Favored Glycine 0 N--CA 1.508 3.496 1 C-N-CA 113.037 -4.411 . . . . 25.74 103.699 -179.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 8' ' ' LYS . 83.6 m-20 -102.33 98.14 8.3 Favored 'General case' 0 C--O 1.272 2.252 1 O-C-N 132.943 5.731 . . . . 16.13 107.476 179.39 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -96.23 143.85 26.95 Favored 'General case' 0 N--CA 1.509 2.486 1 O-C-N 129.406 4.191 . . . . 14.74 108.59 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . 0.586 HG13 ' OG1' ' A' ' 6' ' ' THR . 1.8 t -119.64 114.98 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 C-N-CA 115.865 -2.334 . . . . 19.61 110.148 179.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 ' HG3' ' A' ' 31' ' ' GLU 0.268 0.5 OUTLIER -96.35 176.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 CA-C-O 126.866 3.222 . . . . 17.92 102.58 178.383 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.98 HG22 ' OE1' ' D' ' 92' ' ' GLU 0.438 2.6 t -140.74 126.19 18.85 Favored 'General case' 0 C--O 1.275 2.399 1 N-CA-C 98.257 -4.719 . . . . 19.76 98.257 178.366 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . 0.929 HG22 ' HG3' ' A' ' 81' ' ' PRO 0.28 0.6 OUTLIER -131.71 141.96 43.51 Favored Pre-proline 0 N--CA 1.488 1.461 0 N-CA-C 104.982 -2.229 . . . . 19.53 104.982 -177.038 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 34.4 Cg_endo -74.68 153.62 43.58 Favored 'Trans proline' 0 C--O 1.264 1.784 0 O-C-N 126.073 2.617 . . . . 18.83 105.446 177.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.39 2.04 2.59 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 123.418 1.58 . . . . 14.11 113.696 -179.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.423 0.8 OUTLIER -118.38 14.54 13.79 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 113.406 -3.318 . . . . 15.46 104.513 -178.463 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . 0.76 ' OE1' ' HB3' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -121.59 128.04 51.54 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.977 2.673 . . . . 22.79 112.114 -178.86 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . 0.985 ' OH ' ' OE1' ' A' ' 61' ' ' GLN . 20.8 m-30 -63.68 135.51 56.78 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 126.788 2.555 . . . . 16.13 104.863 178.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 79' ' ' ALA . 16.8 mt -54.65 -27.81 18.56 Favored 'Isoleucine or valine' 0 C--O 1.256 1.41 1 O-C-N 130.036 4.585 . . . . 18.35 114.287 -171.979 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . 1.053 ' CD2' ' HA ' ' A' ' 77' ' ' CYS 0.256 0.0 OUTLIER -88.92 -27.28 21.07 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.583 2.427 . . . . 15.41 104.989 -179.989 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . 0.76 ' HB3' ' OE1' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -54.76 -50.26 68.85 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 103.456 -2.794 . . . . 15.76 103.456 178.899 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.825 HG21 ' HB ' ' A' ' 18' ' ' VAL 0.263 2.1 t -62.19 -56.81 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 126.393 2.308 . . . . 11.79 115.084 -178.725 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . . . -40.25 -49.89 2.72 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 126.235 2.21 . . . . 14.85 110.81 176.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 106' ' ' HOH . 35.7 mt-10 -63.37 -46.2 87.61 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 116.093 1.886 . . . . 14.88 116.093 178.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -57.15 -41.82 79.88 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.392 -1.731 . . . . 22.38 107.646 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . 0.906 ' HG3' HG23 ' A' ' 16' ' ' ILE . 22.6 mm-40 -60.18 -37.21 79.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 113.935 -2.936 . . . . 17.67 106.122 177.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.6 18.59 3.99 Favored Glycine 0 N--CA 1.474 1.22 2 O-C-N 129.909 4.506 . . . . 15.51 112.803 177.041 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.62 164.22 12.55 Favored 'General case' 0 C--N 1.306 -1.285 1 CA-C-O 136.873 7.987 . . . . 15.56 111.537 177.907 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . 0.565 ' OD2' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -113.42 163.41 14.91 Favored 'General case' 0 C--O 1.254 1.336 3 CA-C-O 137.782 8.42 . . . . 23.07 107.334 176.61 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . 1.076 HD22 ' HD2' ' A' ' 36' ' ' PRO . 1.2 tm? -172.69 140.16 0.97 Allowed Pre-proline 0 C--N 1.277 -2.55 3 C-N-CA 140.048 7.339 . . . . 17.56 95.563 179.166 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . 1.076 ' HD2' HD22 ' A' ' 35' ' ' LEU . 41.2 Cg_endo -75.56 135.86 18.58 Favored 'Trans proline' 0 C--N 1.312 -1.367 1 O-C-N 131.679 5.568 . . . . 18.08 112.368 175.873 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' C ' ' CD2' ' A' ' 37' ' ' TYR . 33.0 p90 -143.68 172.02 13.39 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 123.834 3.015 . . . . 19.27 107.855 172.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . 0.928 ' OG ' HG21 ' A' ' 46' ' ' THR . 0.9 OUTLIER -123.65 -88.39 0.61 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 127.476 3.513 . . . . 15.63 113.046 175.465 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . 0.861 ' SG ' ' HB3' ' A' ' 43' ' ' ALA . 6.0 p -67.21 -25.29 66.04 Favored 'General case' 0 C--N 1.309 -1.178 1 CA-C-O 108.961 -5.304 . . . . 18.51 115.371 -173.777 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.32 4.65 4.72 Favored 'General case' 0 C--N 1.295 -1.766 1 O-C-N 133.19 6.556 . . . . 15.95 105.91 -179.325 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -6.75 9.77 Favored 'General case' 0 C--N 1.308 -1.226 1 N-CA-C 122.504 4.261 . . . . 14.26 122.504 -174.812 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . 0.794 ' HA2' ' S2 ' ' A' ' 97' ' ' FES . . . 79.99 18.31 72.61 Favored Glycine 0 C--N 1.291 -1.94 1 CA-C-N 126.747 4.34 . . . . 10.6 108.855 171.321 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . 0.861 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . . . -87.25 -14.62 40.49 Favored 'General case' 0 C--N 1.284 -2.25 2 CA-C-N 107.074 -4.563 . . . . 15.13 110.477 -178.117 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 45' ' ' SER . 1.0 OUTLIER -147.04 -154.79 0.57 Allowed 'General case' 0 CA--C 1.507 -0.684 1 O-C-N 129.216 4.072 . . . . 14.31 116.769 -176.773 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . 0.713 ' HB2' ' OE2' ' A' ' 92' ' ' GLU 0.266 0.4 OUTLIER -118.25 -23.16 7.4 Favored 'General case' 0 C--O 1.266 1.961 0 N-CA-C 121.092 3.738 . . . . 15.4 121.092 -174.875 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . 0.928 HG21 ' OG ' ' A' ' 38' ' ' SER 0.309 72.1 p -41.66 -42.93 2.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 119.405 3.113 . . . . 14.83 119.405 -179.571 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' CYS . . . . . 0.946 ' HA ' HD11 ' A' ' 35' ' ' LEU . 30.6 p -97.39 23.45 7.56 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 122.866 2.576 . . . . 17.5 113.711 179.851 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.39 134.1 53.89 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 128.127 3.823 . . . . 15.98 115.538 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.54 168.18 13.16 Favored Glycine 0 C--O 1.271 2.468 0 O-C-N 117.161 -3.462 . . . . 11.42 108.79 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . 0.926 ' NZ ' ' O ' ' A' ' 71' ' ' ALA . 2.6 tmtt? -132.67 124.42 28.2 Favored 'General case' 0 N--CA 1.488 1.468 3 O-C-N 130.44 4.259 . . . . 10.6 107.76 175.138 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . 0.817 HD23 HG22 ' A' ' 87' ' ' ILE . 1.4 mt -73.22 131.41 41.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 126.488 2.368 . . . . 13.84 105.772 179.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . 0.986 ' HB ' ' CG2' ' A' ' 86' ' ' VAL . 77.5 t -91.29 -64.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 N-CA-C 101.678 -3.452 . . . . 14.08 101.678 177.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . 0.681 ' O ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -130.01 160.83 32.46 Favored 'General case' 0 C--O 1.255 1.369 0 C-N-CA 128.732 2.813 . . . . 20.31 111.446 179.859 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.91 -157.05 15.24 Favored Glycine 0 C--O 1.258 1.627 0 O-C-N 126.977 2.673 . . . . 20.9 115.167 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PRO . . . . . 0.809 ' HB2' HG22 ' A' ' 82' ' ' THR . 5.2 Cg_exo -82.48 -98.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.323 -0.814 0 O-C-N 126.282 2.728 . . . . 15.89 106.546 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . 0.679 ' O ' ' HB ' ' A' ' 82' ' ' THR 0.277 . . 177.73 138.17 0.23 Allowed Pre-proline 0 C--N 1.287 -2.12 1 N-CA-C 98.73 -4.544 . . . . 14.61 98.73 -177.197 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . 0.849 ' HA ' ' O ' ' A' ' 80' ' ' TYR . 39.5 Cg_endo -84.74 131.19 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.81 1 O-C-N 133.339 6.441 . . . . 13.16 104.564 -179.559 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . 0.899 ' OD1' ' OD1' ' A' ' 60' ' ' ASP 0.288 0.0 OUTLIER -51.69 102.71 0.05 OUTLIER 'General case' 0 N--CA 1.52 3.044 0 O-C-N 126.84 2.587 . . . . 15.31 109.321 179.059 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . 0.768 ' OE2' ' HA ' ' A' ' 74' ' ' ILE 0.358 0.3 OUTLIER -107.97 32.01 5.08 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-O 127.055 3.312 . . . . 17.51 106.313 -178.367 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.899 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 11.4 p-10 -75.49 71.03 2.4 Favored 'General case' 0 N--CA 1.486 1.341 1 N-CA-C 98.437 -4.653 . . . . 16.91 98.437 176.666 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . 0.985 ' OE1' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -160.47 -74.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 1 CA-C-O 130.451 4.929 . . . . 15.32 110.322 -179.519 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . 1.147 ' OG ' ' CG1' ' A' ' 78' ' ' VAL . 41.2 m -75.05 101.31 4.47 Favored 'General case' 0 C--O 1.279 2.646 2 CA-C-O 107.641 -5.933 . . . . 17.97 102.697 -177.71 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . 1.021 ' CD1' ' O ' ' A' ' 62' ' ' SER 0.6 0.0 OUTLIER -133.51 -91.04 0.37 Allowed 'General case' 0 C--O 1.281 2.723 3 O-C-N 134.6 7.437 . . . . 16.92 117.22 175.695 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . 1.086 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER 12.07 12.56 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.267 1 CA-C-N 137.756 9.344 . . . . 18.38 106.699 -177.414 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' O ' ' CZ ' ' A' ' 63' ' ' PHE 0.329 0.4 OUTLIER -117.29 100.98 8.05 Favored 'General case' 0 N--CA 1.492 1.665 1 CA-C-O 129.178 4.323 . . . . 18.18 106.187 -176.098 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.461 1.6 m-20 -4.72 108.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.887 2 C-N-CA 132.086 4.154 . . . . 16.7 111.531 -173.499 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -44.26 66.17 0.0 OUTLIER 'General case' 0 C--O 1.252 1.207 1 C-N-CA 133.476 4.71 . . . . 16.73 119.629 -174.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . 0.747 ' HG3' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -141.33 45.85 1.73 Allowed 'General case' 0 C--O 1.264 1.848 0 C-N-CA 128.273 2.629 . . . . 17.74 115.251 -179.044 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ILE . . . . . 0.777 ' H ' HD13 ' A' ' 69' ' ' ILE 0.272 0.0 OUTLIER -66.12 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--O 1.286 2.99 1 CA-C-O 109.188 -5.196 . . . . 26.55 105.542 178.363 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.17 -38.47 11.91 Favored 'General case' 0 C--O 1.264 1.825 2 O-C-N 140.289 10.993 . . . . 22.22 119.268 -179.921 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . 0.926 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . . . -64.91 -14.79 60.87 Favored 'General case' 0 C--O 1.246 0.881 1 CA-C-O 132.797 6.046 . . . . 17.96 109.29 176.036 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 6.08 45.26 Favored Glycine 0 CA--C 1.55 2.226 2 N-CA-C 102.013 -4.435 . . . . 15.69 102.013 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . 0.776 ' OH ' ' HB1' ' A' ' 94' ' ' ALA . 70.4 m-85 -83.05 106.44 14.87 Favored 'General case' 0 C--O 1.205 -1.275 1 C-N-CA 109.103 -5.039 . . . . 18.99 113.251 -179.172 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . 0.768 ' HA ' ' OE2' ' A' ' 59' ' ' GLU 0.353 0.8 OUTLIER -94.24 138.6 20.2 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.755 0 C-N-CA 131.669 3.988 . . . . 15.96 118.04 167.401 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.558 HD13 ' HA2' ' A' ' 42' ' ' GLY . 6.7 mt -98.79 87.87 3.88 Favored 'General case' 0 C--N 1.317 -0.832 2 O-C-N 113.871 -5.518 . . . . 14.51 116.354 178.393 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . 0.579 ' OG1' ' O ' ' A' ' 47' ' ' CYS 0.276 70.3 p -42.3 -21.82 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 1 N-CA-C 122.578 4.288 . . . . 15.47 122.578 -174.924 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . 1.053 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 26.9 p -85.19 -13.35 50.29 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 124.07 3.123 . . . . 13.34 112.285 -176.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . 1.147 ' CG1' ' OG ' ' A' ' 62' ' ' SER 0.341 1.1 t -137.96 42.91 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.003 1 O-C-N 129.589 4.305 . . . . 14.21 112.403 178.145 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . 0.685 ' O ' ' HA ' ' A' ' 23' ' ' TYR . . . -115.39 138.24 51.2 Favored 'General case' 0 CA--C 1.54 0.595 1 O-C-N 116.292 -4.005 . . . . 13.31 111.274 -178.532 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TYR . . . . . 0.849 ' O ' ' HA ' ' A' ' 57' ' ' PRO 0.264 82.2 m-85 -116.95 123.33 30.32 Favored Pre-proline 0 C--N 1.302 -1.498 0 CA-C-N 110.635 -2.984 . . . . 14.53 103.155 173.843 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PRO . . . . . 0.929 ' HG3' HG22 ' A' ' 18' ' ' VAL . 80.9 Cg_endo -71.74 143.2 41.17 Favored 'Trans proline' 0 C--O 1.253 1.251 1 O-C-N 129.418 4.378 . . . . 15.51 106.48 175.401 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . 0.809 HG22 ' HB2' ' A' ' 55' ' ' PRO . 0.8 OUTLIER -111.17 -3.72 15.3 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 125.738 1.899 . . . . 18.24 112.865 -178.595 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . 1.056 ' HA2' ' CD1' ' A' ' 3' ' ' TYR . . . -179.97 -156.21 17.36 Favored Glycine 0 N--CA 1.484 1.835 0 CA-C-O 114.665 -3.297 . . . . 16.68 106.576 -179.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 4' ' ' LYS 0.295 1.9 m-20 -75.13 148.06 39.99 Favored 'General case' 0 N--CA 1.499 2.023 1 O-C-N 132.511 5.477 . . . . 20.1 108.621 178.659 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 85' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 28.9 p -169.25 162.29 10.5 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 115.071 -2.652 . . . . 13.85 113.46 -174.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . 0.986 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -129.15 137.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 102.231 -3.248 . . . . 12.56 102.231 -179.161 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . 0.817 HG22 HD23 ' A' ' 51' ' ' LEU 0.296 1.2 pp -149.14 131.62 6.35 Favored 'Isoleucine or valine' 0 C--O 1.258 1.549 0 C-N-CA 115.894 -2.322 . . . . 20.63 111.057 178.251 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . 0.624 ' HG3' ' HB3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -68.35 143.64 55.08 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 110.296 -3.138 . . . . 21.9 103.299 173.028 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . 0.848 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 2.4 p -120.51 -23.46 6.09 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 121.208 3.781 . . . . 17.01 121.208 -173.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.61 95.46 10.17 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 101.128 -3.656 . . . . 15.55 101.128 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . 0.79 ' CD ' ' HB2' ' A' ' 50' ' ' LYS 0.256 3.0 mtpt -130.33 28.35 4.98 Favored 'General case' 0 N--CA 1.498 1.961 2 N-CA-C 126.467 5.728 . . . . 16.09 126.467 -177.355 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . 0.713 ' OE2' ' HB2' ' A' ' 45' ' ' SER . 1.7 pt-20 -92.26 99.09 11.93 Favored 'General case' 0 C--O 1.262 1.719 0 CA-C-O 127.136 3.35 . . . . 17.84 105.171 167.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . 0.353 14.0 mm-40 157.19 47.27 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.847 3 CA-C-O 130.105 4.764 . . . . 16.94 98.184 -175.063 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . 0.803 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -166.2 -65.4 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.048 1 CA-C-N 106.972 -4.649 . . . . 17.18 102.815 -179.556 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.7 mt -52.67 -51.65 59.31 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 126.952 3.263 . . . . 16.88 110.83 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' TYR . . . . . 0.803 ' CE2' ' O ' ' A' ' 94' ' ' ALA 0.288 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.659 1 CA-C-N 104.588 -5.733 . . . . 17.11 100.243 -175.581 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . 0.886 ' O ' ' O ' ' B' ' 98' ' ' HOH . . . . . . . . 0 C--O 1.281 2.731 0 N-CA-C 117.546 2.424 . . . . 17.27 117.546 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . 0.656 ' HB3' ' O ' ' B' ' 98' ' ' HOH 0.314 0.6 OUTLIER -166.2 76.97 0.22 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.717 1.144 . . . . 18.02 108.708 -179.81 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 3' ' ' TYR . . . . . 0.597 ' CD1' ' HA2' ' B' ' 83' ' ' GLY . 4.3 m-85 -83.03 161.95 21.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 128.831 3.832 . . . . 21.16 108.725 178.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.262 4.2 mtmt -95.26 113.46 25.13 Favored 'General case' 0 N--CA 1.411 -2.382 1 C-N-CA 132.884 4.473 . . . . 17.4 105.281 -178.944 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -123.1 125.57 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 1 O-C-N 130.392 4.807 . . . . 13.99 101.522 174.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' THR . . . . . 0.7 ' OG1' HG23 ' B' ' 15' ' ' VAL . 57.6 m -90.39 134.35 34.39 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 113.568 -3.111 . . . . 16.54 104.232 175.383 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.6 116.67 29.87 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 123.448 2.84 . . . . 13.21 105.535 173.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -91.04 82.9 5.56 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 126.653 3.121 . . . . 14.93 105.076 177.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' THR . . . . . 1.164 ' HA ' ' CG2' ' B' ' 89' ' ' THR . 4.6 p -90.17 147.91 38.1 Favored Pre-proline 0 C--O 1.258 1.524 0 C-N-CA 128.478 2.711 . . . . 15.72 114.032 -179.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PRO . . . . . 0.618 ' HD3' HG23 ' B' ' 89' ' ' THR 0.331 53.3 Cg_exo -46.73 -32.78 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.473 1 CA-C-O 109.228 -4.572 . . . . 16.22 116.261 179.237 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.298 0.2 OUTLIER -81.28 -51.8 7.99 Favored 'General case' 0 CA--C 1.557 1.216 1 CA-C-N 130.016 5.826 . . . . 16.86 105.777 175.85 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.45 -159.03 8.91 Favored Glycine 0 N--CA 1.417 -2.587 2 N-CA-C 130.035 6.774 . . . . 16.31 130.035 178.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -134.11 64.5 1.6 Allowed 'General case' 0 CA--C 1.544 0.741 1 C-N-CA 134.465 5.106 . . . . 18.9 105.458 -178.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ASN . . . . . 0.693 ' N ' HD22 ' B' ' 14' ' ' ASN . 0.0 OUTLIER -80.66 132.43 35.59 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 112.089 -3.815 . . . . 15.91 115.682 -177.109 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . 0.7 HG23 ' OG1' ' B' ' 6' ' ' THR 0.282 0.4 OUTLIER -102.22 123.68 55.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 126.08 2.112 . . . . 14.93 107.607 176.454 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . 0.927 HD12 ' HG3' ' B' ' 31' ' ' GLU 0.579 23.4 mm -105.19 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 1 C-N-CA 134.937 5.295 . . . . 18.05 108.266 -179.49 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.266 0.9 OUTLIER -130.73 112.51 13.15 Favored 'General case' 0 C--N 1.307 -1.265 2 O-C-N 114.084 -5.385 . . . . 14.89 102.099 -178.977 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . 0.816 HG13 HG21 ' B' ' 27' ' ' VAL 0.278 13.3 t -124.22 132.52 24.31 Favored Pre-proline 0 N--CA 1.409 -2.476 1 C-N-CA 133.034 4.534 . . . . 14.36 119.573 -177.899 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 18' ' ' VAL . 20.8 Cg_exo -68.9 144.31 58.2 Favored 'Trans proline' 0 C--O 1.261 1.644 0 CA-C-O 129.274 3.781 . . . . 16.26 104.144 172.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' B' ' 21' ' ' ASP . 6.1 p-10 -57.53 -17.57 14.57 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 109.771 -3.377 . . . . 17.49 110.152 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . 0.789 ' HB3' ' O ' ' B' ' 103' ' ' HOH . 17.8 p-10 -119.75 32.3 6.13 Favored 'General case' 0 N--CA 1.502 2.127 1 O-C-N 129.879 4.487 . . . . 16.63 112.357 -174.803 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.17 120.61 20.29 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 111.959 -3.877 . . . . 17.51 114.096 178.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' B' ' 137' ' ' HOH . 14.0 m-30 -51.06 145.07 8.01 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 122.215 2.279 . . . . 17.14 105.476 175.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.35 -18.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 1 C-N-CA 133.273 4.629 . . . . 13.26 111.166 -177.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . 0.709 HD13 HG22 ' B' ' 76' ' ' THR . 1.0 OUTLIER -96.34 -28.05 14.67 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 128.679 3.737 . . . . 15.87 112.881 -177.076 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -43.77 77.94 Favored 'General case' 0 N--CA 1.485 1.321 1 CA-C-O 128.682 4.087 . . . . 18.13 100.83 177.301 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . 0.816 HG21 HG13 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -68.2 -59.29 3.85 Favored 'Isoleucine or valine' 0 C--O 1.262 1.759 0 CA-C-N 108.601 -3.908 . . . . 15.13 109.285 179.477 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' B' ' 27' ' ' VAL . . . -35.38 -70.9 0.08 Allowed 'General case' 0 N--CA 1.477 0.917 1 O-C-N 131.258 5.349 . . . . 14.77 110.996 -177.431 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . 1.032 ' HG2' ' O ' ' B' ' 121' ' ' HOH . 0.1 OUTLIER -35.16 -45.39 0.29 Allowed 'General case' 0 C--O 1.264 1.826 0 C-N-CA 131.501 3.92 . . . . 18.23 113.535 178.96 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLU . . . . . 0.708 ' HB3' ' O ' ' B' ' 27' ' ' VAL . 4.2 tp10 -57.92 -64.67 0.83 Allowed 'General case' 0 C--N 1.357 0.917 1 O-C-N 131.551 5.532 . . . . 19.01 107.424 179.151 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . 0.927 ' HG3' HD12 ' B' ' 16' ' ' ILE . 11.1 mm-40 -43.21 -66.81 0.33 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 109.701 -3.409 . . . . 17.23 103.912 177.627 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.56 23.46 0.07 OUTLIER Glycine 0 C--O 1.271 2.446 0 CA-C-O 125.385 2.659 . . . . 15.15 112.315 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . 0.521 ' C ' ' OD2' ' B' ' 34' ' ' ASP . 2.6 mp -89.69 -172.62 3.63 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 119.233 -2.334 . . . . 13.95 107.842 -178.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' B' ' 34' ' ' ASP . 0.0 OUTLIER -141.62 178.24 7.6 Favored 'General case' 0 N--CA 1.494 1.757 1 CA-C-O 134.669 6.937 . . . . 18.12 109.987 176.427 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . 1.24 HD13 ' O ' ' B' ' 36' ' ' PRO . 0.0 OUTLIER 178.52 137.28 0.25 Allowed Pre-proline 0 C--N 1.292 -1.915 1 CA-C-N 107.442 -4.436 . . . . 17.29 100.379 178.15 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PRO . . . . . 1.24 ' O ' HD13 ' B' ' 35' ' ' LEU . 11.1 Cg_endo -48.62 135.63 27.25 Favored 'Trans proline' 0 C--N 1.298 -2.109 1 O-C-N 130.479 4.936 . . . . 17.02 108.122 176.74 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 37' ' ' TYR . . . . . 0.498 ' HB3' ' O ' ' B' ' 36' ' ' PRO 0.313 0.4 OUTLIER -158.87 139.4 12.5 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 113.608 -3.237 . . . . 15.38 108.807 173.247 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 3.8 p -114.14 -83.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 119.587 -1.946 . . . . 13.81 112.903 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' CYS . . . . . 1.281 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 26.5 p -68.89 -19.88 64.23 Favored 'General case' 0 C--O 1.251 1.16 0 N-CA-C 114.268 1.21 . . . . 16.15 114.268 -175.435 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ARG . . . . . 1.281 ' HG3' ' O ' ' B' ' 39' ' ' CYS . 0.5 OUTLIER 49.89 11.47 0.06 Allowed 'General case' 0 C--N 1.312 -1.043 1 CA-C-O 110.582 -4.532 . . . . 18.65 110.465 -178.114 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.67 13.44 21.18 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 122.717 2.508 . . . . 14.33 116.546 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . 1.088 ' HA2' ' S2 ' ' B' ' 97' ' ' FES . . . 59.19 44.65 96.27 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 129.392 3.377 . . . . 13.6 110.85 179.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.01 -10.33 15.96 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 118.805 2.891 . . . . 13.12 118.805 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' CYS . . . . . 0.687 ' SG ' HG23 ' B' ' 46' ' ' THR . 15.2 p -138.26 -163.63 1.49 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 118.446 2.758 . . . . 15.71 118.446 179.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . 0.69 ' HB2' HD13 ' B' ' 95' ' ' LEU . 5.8 p -115.08 2.75 14.25 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 113.562 -3.255 . . . . 15.85 114.234 -178.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' THR . . . . . 0.687 HG23 ' SG ' ' B' ' 44' ' ' CYS 0.564 0.5 OUTLIER -61.77 -19.41 62.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 111.913 -3.899 . . . . 15.37 114.672 -176.437 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 47' ' ' CYS . . . . . 0.612 ' SG ' HD12 ' B' ' 75' ' ' LEU . 28.5 p -110.02 27.95 9.09 Favored 'General case' 0 C--O 1.265 1.911 0 CA-C-N 124.568 3.349 . . . . 13.53 112.148 175.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ALA . . . . . 1.263 ' CB ' HD11 ' B' ' 95' ' ' LEU . . . -58.15 147.63 29.45 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 127.452 2.97 . . . . 13.56 109.72 176.253 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.69 160.37 31.83 Favored Glycine 0 N--CA 1.514 3.866 0 N-CA-C 105.299 -3.12 . . . . 14.73 105.299 -176.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . 0.759 ' N ' ' CD1' ' B' ' 87' ' ' ILE . 0.7 OUTLIER -138.47 127.17 23.55 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 119.57 1.685 . . . . 12.8 113.791 -174.371 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . 0.556 ' HG ' HD11 ' B' ' 74' ' ' ILE 0.326 12.5 mt -65.78 144.76 56.67 Favored 'General case' 0 N--CA 1.496 1.828 2 O-C-N 130.187 4.679 . . . . 12.42 105.43 -177.198 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 86' ' ' VAL 0.303 0.0 OUTLIER -105.71 -71.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.75 2 CA-C-N 108.022 -4.172 . . . . 15.28 99.985 174.865 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 53' ' ' SER . . . . . 0.612 ' O ' ' HA ' ' B' ' 85' ' ' CYS . 1.1 m -129.5 131.89 46.75 Favored 'General case' 0 C--N 1.308 -1.204 1 CA-C-O 130.756 5.074 . . . . 15.49 121.043 -179.16 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLY . . . . . 0.409 ' HA3' ' HD3' ' B' ' 55' ' ' PRO . . . 135.24 -148.16 19.47 Favored Glycine 0 N--CA 1.436 -1.303 2 O-C-N 114.787 -4.946 . . . . 16.91 124.955 177.922 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 55' ' ' PRO . . . . . 0.722 ' O ' ' HB2' ' B' ' 56' ' ' ALA . 5.2 Cg_endo -83.96 -103.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.143 1 N-CA-C 99.25 -4.942 . . . . 16.03 99.25 -177.345 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' B' ' 55' ' ' PRO . . . 150.51 129.37 0.0 OUTLIER Pre-proline 0 C--N 1.288 -2.109 1 N-CA-C 99.318 -4.327 . . . . 15.48 99.318 -178.848 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PRO . . . . . 0.648 ' O ' ' O ' ' B' ' 112' ' ' HOH . 25.8 Cg_exo -59.5 142.38 98.83 Favored 'Trans proline' 0 C--N 1.315 -1.235 1 O-C-N 133.673 6.617 . . . . 18.43 119.411 178.926 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ASP . . . . . 0.446 ' OD2' ' HD1' ' B' ' 80' ' ' TYR . 0.0 OUTLIER -68.05 122.61 18.59 Favored 'General case' 0 C--N 1.316 -0.878 1 N-CA-C 99.988 -4.078 . . . . 13.97 99.988 177.517 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -124.39 15.49 8.96 Favored 'General case' 0 C--N 1.317 -0.819 1 O-C-N 132.251 5.969 . . . . 14.9 110.496 -177.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.83 72.75 10.1 Favored 'General case' 0 C--O 1.271 2.199 0 N-CA-C 102.515 -3.143 . . . . 21.02 102.515 177.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLN . . . . . 0.664 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -160.03 -58.77 0.06 Allowed 'General case' 0 C--N 1.262 -3.236 0 O-C-N 127.21 2.819 . . . . 22.66 111.273 -176.88 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 62' ' ' SER . . . . . 1.314 ' OG ' HG11 ' B' ' 78' ' ' VAL . 60.0 p -127.92 79.89 1.92 Allowed 'General case' 0 C--O 1.264 1.868 1 CA-C-O 110.293 -4.67 . . . . 21.12 103.304 -179.772 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 63' ' ' PHE . . . . . 1.045 ' CE1' HD23 ' B' ' 75' ' ' LEU 0.64 0.5 OUTLIER -97.07 -99.1 0.19 Allowed 'General case' 0 N--CA 1.502 2.148 3 C-N-CA 100.644 -8.422 . . . . 18.53 103.534 179.669 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . 1.007 HD12 ' C ' ' B' ' 63' ' ' PHE . 0.4 OUTLIER 59.55 -11.73 0.04 OUTLIER 'General case' 0 C--O 1.286 3.014 0 CA-C-N 125.671 3.85 . . . . 20.32 113.916 176.876 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ASP . . . . . 0.974 ' O ' ' CE2' ' B' ' 63' ' ' PHE 0.409 0.8 OUTLIER -123.98 80.87 1.86 Allowed 'General case' 0 N--CA 1.487 1.403 2 CA-C-O 136.954 8.026 . . . . 15.15 97.488 174.372 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . 0.289 4.5 m-20 -30.96 153.3 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 4 CA-C-O 141.12 10.01 . . . . 16.15 129.422 -170.472 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . 1.144 ' O ' ' HG2' ' B' ' 68' ' ' GLN 0.292 6.0 t0 -21.98 82.2 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 3 C-N-CA 138.245 6.618 . . . . 18.13 117.325 -169.769 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLN . . . . . 1.144 ' HG2' ' O ' ' B' ' 67' ' ' ASP 0.314 9.3 mm-40 -178.25 38.74 0.0 OUTLIER 'General case' 0 C--O 1.274 2.346 2 CA-C-O 131.066 5.222 . . . . 22.48 109.941 176.567 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . 0.371 1.3 pp -60.26 -34.27 56.68 Favored 'Isoleucine or valine' 0 C--O 1.285 2.949 1 CA-C-N 104.903 -5.59 . . . . 19.42 106.314 -178.943 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLN . . . . . 0.643 ' HG2' ' N ' ' B' ' 71' ' ' ALA 0.497 3.8 tt0 -49.08 -55.1 13.2 Favored 'General case' 0 N--CA 1.395 -3.212 2 C-N-CA 154.164 12.986 . . . . 22.0 117.115 -179.251 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ALA . . . . . 0.643 ' N ' ' HG2' ' B' ' 70' ' ' GLN . . . -57.83 -31.69 66.87 Favored 'General case' 0 N--CA 1.479 1.001 2 O-C-N 135.182 7.801 . . . . 14.73 100.36 -179.799 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' B' ' 70' ' ' GLN . . . 125.34 15.67 3.0 Favored Glycine 0 CA--C 1.551 2.306 0 N-CA-C 105.251 -3.14 . . . . 13.79 105.251 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TYR . . . . . 0.427 ' CZ ' ' HE2' ' B' ' 50' ' ' LYS 0.262 87.2 m-85 -76.51 133.15 39.85 Favored 'General case' 0 N--CA 1.492 1.639 2 CA-C-O 134.692 6.949 . . . . 17.22 105.126 179.516 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ILE . . . . . 0.73 HD12 HD13 ' B' ' 87' ' ' ILE . 53.0 mt -116.4 119.97 63.53 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.636 3 C-N-CA 147.224 10.21 . . . . 15.97 125.895 172.274 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LEU . . . . . 1.045 HD23 ' CE1' ' B' ' 63' ' ' PHE . 3.9 mm? -93.26 89.48 6.42 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 117.83 -3.044 . . . . 14.94 114.701 176.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' THR . . . . . 0.709 HG22 HD13 ' B' ' 25' ' ' LEU . 2.9 m -46.76 -13.47 0.03 OUTLIER 'General case' 0 N--CA 1.421 -1.91 2 N-CA-C 123.133 4.494 . . . . 14.59 123.133 -176.749 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.14 -15.65 23.18 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 129.697 3.199 . . . . 15.92 108.774 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . 1.314 HG11 ' OG ' ' B' ' 62' ' ' SER . 0.3 OUTLIER -127.54 6.74 3.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 2 N-CA-C 123.881 4.771 . . . . 14.11 123.881 -176.826 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' B' ' 23' ' ' TYR . . . -96.32 132.16 42.09 Favored 'General case' 0 C--N 1.306 -1.317 1 C-N-CA 135.59 5.556 . . . . 15.26 117.93 -177.454 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 80' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' B' ' 21' ' ' ASP . 6.2 m-85 -114.57 143.86 30.73 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 117.454 -3.279 . . . . 15.32 105.831 177.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' PRO . . . . . 0.425 ' HG2' ' CG1' ' B' ' 18' ' ' VAL . 37.0 Cg_exo -56.48 157.16 19.35 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 N-CA-C 103.937 -3.14 . . . . 16.09 103.937 179.061 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' THR . . . . . 0.475 HG22 ' HB2' ' B' ' 55' ' ' PRO . 2.5 m -133.33 -16.76 2.38 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 102.911 -2.996 . . . . 14.22 102.911 -178.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLY . . . . . 0.636 ' HA3' ' HG2' ' B' ' 55' ' ' PRO . . . 178.99 -170.04 41.66 Favored Glycine 0 N--CA 1.466 0.667 1 O-C-N 132.181 5.926 . . . . 14.44 113.424 -177.41 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -80.66 117.85 21.71 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.989 -1.856 . . . . 29.99 105.989 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' B' ' 53' ' ' SER . 1.1 p -137.77 168.68 19.2 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 125.394 1.684 . . . . 15.33 113.982 -178.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 52' ' ' VAL . 73.5 t -118.4 122.53 69.76 Favored 'Isoleucine or valine' 0 C--O 1.272 2.271 0 CA-C-O 112.579 -3.582 . . . . 12.95 107.381 179.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ILE . . . . . 0.759 ' CD1' ' N ' ' B' ' 50' ' ' LYS 0.405 0.1 OUTLIER -142.69 134.05 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.467 0 CA-C-N 122.515 2.416 . . . . 7.99 113.315 -176.931 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 88' ' ' GLU . . . . . 0.689 ' OE1' ' NZ ' ' B' ' 91' ' ' LYS . 0.6 OUTLIER -77.86 131.25 37.45 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 106.165 -1.791 . . . . 18.05 106.165 175.944 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 89' ' ' THR . . . . . 1.164 ' CG2' ' HA ' ' B' ' 9' ' ' THR . 0.1 OUTLIER -73.79 -67.62 0.58 Allowed 'General case' 0 N--CA 1.391 -3.391 3 CA-C-O 107.188 -6.149 . . . . 17.35 121.869 -171.731 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HIS . . . . . 0.894 ' CD2' ' HD3' ' B' ' 36' ' ' PRO . 28.9 m80 -91.38 106.23 18.35 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 128.518 3.636 . . . . 18.4 108.201 -176.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LYS . . . . . 0.689 ' NZ ' ' OE1' ' B' ' 88' ' ' GLU . 2.6 mmtp -128.8 25.64 5.62 Favored 'General case' 0 C--O 1.269 2.13 1 O-C-N 116.208 -4.058 . . . . 16.34 112.08 -174.758 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLU . . . . . 0.493 ' OE1' ' HB ' ' B' ' 46' ' ' THR . 1.4 pt-20 -101.84 89.33 3.63 Favored 'General case' 0 N--CA 1.5 2.067 2 CA-C-O 138.123 8.582 . . . . 13.69 107.537 175.955 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLU . . . . . 0.899 ' O ' ' HB2' ' B' ' 94' ' ' ALA 0.327 44.2 mt-10 157.87 85.21 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 2 C-N-CA 144.397 9.079 . . . . 18.97 100.481 177.377 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ALA . . . . . 0.899 ' HB2' ' O ' ' B' ' 93' ' ' GLU 0.322 . . 165.31 -49.97 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.678 2 CA-C-O 130.704 5.049 . . . . 15.82 101.706 -179.13 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 95' ' ' LEU . . . . . 1.263 HD11 ' CB ' ' B' ' 48' ' ' ALA . 1.1 mt -69.27 -88.71 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 1 CA-C-N 107.227 -4.533 . . . . 18.23 108.4 171.424 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 96' ' ' TYR . . . . . 0.778 ' CE2' ' N ' ' B' ' 94' ' ' ALA . 11.1 m-30 . . . . . 0 C--O 1.269 2.084 0 CA-C-O 114.089 -2.862 . . . . 20.7 114.559 -176.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.744 1 CA-C-O 110.896 -4.383 . . . . 16.5 115.571 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' C' ' 19' ' ' PRO . 61.3 m 175.99 115.74 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 123.062 2.665 . . . . 19.69 108.749 175.188 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' TYR . . . . . 0.5 ' HD1' ' OD1' ' C' ' 84' ' ' ASP . 44.4 m-85 -111.04 141.85 43.98 Favored 'General case' 0 C--N 1.311 -1.078 2 CA-C-O 137.663 8.363 . . . . 15.15 123.376 -175.272 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LYS . . . . . 0.681 ' CG ' ' OD2' ' C' ' 84' ' ' ASP 0.306 0.0 OUTLIER -69.28 114.84 7.9 Favored 'General case' 0 C--O 1.258 1.55 2 O-C-N 115.209 -4.682 . . . . 14.99 104.161 173.912 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' C' C ' 5' ' ' VAL . . . . . 1.051 HG13 HD13 ' C' ' 16' ' ' ILE 0.251 0.1 OUTLIER -125.39 107.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 119.948 -1.72 . . . . 12.98 109.703 176.816 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 6' ' ' THR . . . . . 0.479 HG23 HG22 ' C' ' 15' ' ' VAL . 0.1 OUTLIER -90.06 124.66 34.97 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 128.165 3.415 . . . . 13.91 102.803 179.782 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LEU . . . . . 0.639 ' CD2' HG22 ' C' ' 5' ' ' VAL . 0.1 OUTLIER -106.33 131.07 53.99 Favored 'General case' 0 CA--C 1.551 0.986 1 N-CA-C 100.086 -4.042 . . . . 15.03 100.086 176.273 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . 0.974 ' HG2' ' OD1' ' C' ' 13' ' ' ASP . 31.9 mttt -111.03 91.35 3.63 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 103.308 -2.849 . . . . 18.91 103.308 179.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' THR . . . . . 0.527 ' CG2' ' OG1' ' C' ' 89' ' ' THR . 0.9 OUTLIER -104.46 164.11 15.89 Favored Pre-proline 0 C--N 1.299 -1.59 0 CA-C-O 127.302 3.43 . . . . 14.69 114.299 177.63 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 10' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' C' ' 9' ' ' THR . 25.4 Cg_exo -48.19 -34.62 24.57 Favored 'Trans proline' 0 C--O 1.255 1.368 0 C-N-CA 123.904 3.07 . . . . 17.49 116.891 178.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.06 -27.81 28.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 130.539 3.536 . . . . 21.19 109.846 179.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.51 170.45 31.42 Favored Glycine 0 N--CA 1.489 2.213 0 C-N-CA 115.404 -3.284 . . . . 19.38 116.204 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ASP . . . . . 0.974 ' OD1' ' HG2' ' C' ' 8' ' ' LYS . 8.4 m-20 -93.88 105.61 17.62 Favored 'General case' 0 C--N 1.305 -1.359 2 CA-C-O 108.095 -5.717 . . . . 17.41 99.047 179.539 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.84 133.92 55.12 Favored 'General case' 0 C--N 1.304 -1.407 1 O-C-N 130.1 4.625 . . . . 20.5 116.446 -179.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 15' ' ' VAL . . . . . 0.479 HG22 HG23 ' C' ' 6' ' ' THR 0.258 1.8 t -101.43 114.13 39.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 O-C-N 126.212 2.195 . . . . 13.82 115.297 178.684 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ILE . . . . . 1.051 HD13 HG13 ' C' ' 5' ' ' VAL 0.379 0.0 OUTLIER -107.51 163.07 5.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.571 0 CA-C-O 127.081 3.324 . . . . 16.04 103.338 174.507 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 17' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' C' ' 3' ' ' TYR . 80.9 m -118.04 145.26 44.92 Favored 'General case' 0 C--O 1.266 1.953 1 N-CA-C 95.913 -5.588 . . . . 18.99 95.913 -177.977 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 18' ' ' VAL . . . . . 0.765 HG13 ' CG1' ' C' ' 5' ' ' VAL . 0.7 OUTLIER -160.21 123.4 1.93 Allowed Pre-proline 0 N--CA 1.495 1.813 1 O-C-N 130.848 5.092 . . . . 17.79 103.341 -177.214 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 19' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' C' ' 2' ' ' SER . 50.2 Cg_exo -62.75 142.61 89.75 Favored 'Trans proline' 0 C--O 1.254 1.295 0 O-C-N 125.683 2.412 . . . . 15.95 112.012 175.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' C' ' 126' ' ' HOH . 6.1 p-10 -39.26 -19.58 0.01 OUTLIER 'General case' 0 C--O 1.268 2.043 0 C-N-CA 129.356 3.062 . . . . 15.59 112.255 173.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . 0.262 2.8 p30 -114.19 16.52 18.01 Favored 'General case' 0 C--O 1.267 1.978 1 CA-C-O 108.135 -5.698 . . . . 14.46 116.521 177.47 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' C' ' 127' ' ' HOH . 43.1 tt0 -113.93 155.85 25.05 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 128.161 3.413 . . . . 19.32 109.038 176.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' TYR . . . . . 0.696 ' HB2' ' OD2' ' C' ' 26' ' ' ASP . 13.7 m-85 -74.79 137.3 41.84 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 106.475 -1.676 . . . . 14.96 106.475 178.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 5' ' ' VAL . 2.0 mt -57.73 -37.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 124.439 2.066 . . . . 13.58 106.054 -176.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.41 24.55 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 127.309 3.433 . . . . 18.35 109.994 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ASP . . . . . 0.696 ' OD2' ' HB2' ' C' ' 23' ' ' TYR . 0.5 OUTLIER -52.71 -44.81 66.58 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 114.138 -2.839 . . . . 22.99 106.47 -172.53 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 27' ' ' VAL . . . . . 0.515 HG21 ' HB ' ' C' ' 18' ' ' VAL . 2.6 t -74.41 -26.75 20.61 Favored 'Isoleucine or valine' 0 C--O 1.273 2.302 1 O-C-N 131.03 5.206 . . . . 15.75 110.391 -178.594 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . 0.365 . . -64.02 -54.32 36.06 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 113.519 -3.272 . . . . 13.13 104.458 -179.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.82 -38.31 67.22 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 128.518 2.727 . . . . 12.23 110.274 -175.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' GLU . . . . . 1.063 ' HB2' ' O ' ' C' ' 143' ' ' HOH . 15.6 tp10 -63.77 -79.08 0.04 OUTLIER 'General case' 0 C--O 1.259 1.574 0 O-C-N 127.795 3.184 . . . . 19.35 103.708 -176.718 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLU . . . . . 0.641 ' C ' ' O ' ' C' ' 30' ' ' GLU . 1.5 mp0 -30.68 -48.53 0.11 Allowed 'General case' 0 C--O 1.263 1.8 1 O-C-N 130.593 4.933 . . . . 16.51 108.432 176.161 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 30' ' ' GLU . . . 134.23 15.23 1.16 Allowed Glycine 0 C--O 1.266 2.132 0 O-C-N 116.829 -3.669 . . . . 15.02 118.469 178.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.65 -178.69 5.6 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 128.196 3.855 . . . . 19.2 111.876 -178.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.47 157.42 16.82 Favored 'General case' 0 C--O 1.252 1.191 1 CA-C-N 106.92 -4.673 . . . . 21.93 110.896 -178.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 35' ' ' LEU . . . . . 0.996 HD11 ' HB2' ' C' ' 47' ' ' CYS 0.545 2.6 tm? 176.13 109.2 0.11 Allowed Pre-proline 0 CA--C 1.591 2.537 2 C-N-CA 134.994 5.317 . . . . 18.26 98.305 176.533 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 36' ' ' PRO . . . . . 0.639 ' O ' HD13 ' C' ' 35' ' ' LEU . 19.3 Cg_endo -48.79 115.36 1.61 Allowed 'Trans proline' 0 C--N 1.317 -1.109 1 O-C-N 133.016 6.271 . . . . 13.98 111.595 175.039 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 37' ' ' TYR . . . . . 0.529 ' HE1' ' O ' ' C' ' 147' ' ' HOH . 53.1 p90 -136.73 174.71 10.32 Favored 'General case' 0 N--CA 1.487 1.387 1 CA-C-N 129.44 5.564 . . . . 17.42 104.611 176.032 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 38' ' ' SER . . . . . . . . . . . . 0.287 92.1 p -145.2 -81.37 0.16 Allowed 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 114.561 -2.638 . . . . 15.81 105.518 176.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -64.29 -18.2 64.36 Favored 'General case' 0 C--O 1.251 1.163 1 O-C-N 132.384 6.053 . . . . 14.3 115.294 -174.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 40' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' C' ' 112' ' ' HOH 0.289 0.1 OUTLIER 56.9 6.09 0.28 Allowed 'General case' 0 C--N 1.3 -1.576 1 CA-C-O 111.143 -4.265 . . . . 17.32 110.297 179.436 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.34 5.09 11.82 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 129.956 3.302 . . . . 13.21 115.416 -172.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' GLY . . . . . 1.481 ' HA2' ' S2 ' ' C' ' 97' ' ' FES . . . 45.91 51.97 10.24 Favored Glycine 0 C--N 1.292 -1.9 0 C-N-CA 128.213 2.816 . . . . 16.45 109.057 176.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ALA . . . . . 0.468 ' N ' ' S2 ' ' C' ' 97' ' ' FES 0.299 . . -135.94 33.15 2.91 Favored 'General case' 0 N--CA 1.505 2.316 1 CA-C-O 129.666 4.555 . . . . 15.96 106.1 178.363 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 44' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' C' ' 46' ' ' THR . 0.1 OUTLIER -153.36 -175.93 5.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 109.62 -3.446 . . . . 13.66 107.578 -178.725 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 45' ' ' SER . . . . . 0.488 ' HA ' HD21 ' C' ' 75' ' ' LEU . 10.2 p -127.14 0.49 6.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 117.236 -3.415 . . . . 16.36 115.378 -177.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 46' ' ' THR . . . . . 0.435 HG23 ' SG ' ' C' ' 44' ' ' CYS . 1.3 p -62.89 -37.96 88.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 123.152 2.706 . . . . 18.61 113.965 -174.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 47' ' ' CYS . . . . . 0.996 ' HB2' HD11 ' C' ' 35' ' ' LEU . 15.9 p -84.91 24.0 1.12 Allowed 'General case' 0 C--O 1.254 1.332 0 CA-C-O 117.56 -1.21 . . . . 15.33 109.847 176.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 48' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' C' ' 95' ' ' LEU . . . -67.83 135.16 52.13 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 120.558 1.527 . . . . 6.11 110.841 -175.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 49' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 88' ' ' GLU . . . -125.17 170.26 17.11 Favored Glycine 0 C--N 1.276 -2.803 1 C-N-CA 134.878 5.99 . . . . 11.63 112.771 174.802 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 50' ' ' LYS . . . . . 0.838 ' HD2' ' HD3' ' C' ' 91' ' ' LYS . 0.0 OUTLIER -144.96 123.72 12.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 118.013 -3.051 . . . . 19.57 111.404 173.635 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 51' ' ' LEU . . . . . 0.94 ' CD2' HD13 ' C' ' 87' ' ' ILE . 0.0 OUTLIER -66.77 134.14 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 113.619 -3.086 . . . . 15.81 105.128 -177.776 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 52' ' ' VAL . . . . . 0.633 ' HB ' HG23 ' C' ' 86' ' ' VAL 0.259 2.3 t -98.82 -70.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 1 O-C-N 136.493 8.621 . . . . 15.09 103.326 177.226 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 53' ' ' SER . . . . . 1.027 ' HB3' ' O ' ' C' ' 131' ' ' HOH . 10.8 p -131.73 174.01 10.57 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 114.111 -3.035 . . . . 15.82 104.065 174.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.56 -148.96 17.78 Favored Glycine 1 N--CA 1.523 4.497 3 N-CA-C 100.726 -4.95 . . . . 18.09 100.726 179.377 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 55' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' C' ' 85' ' ' CYS . 7.0 Cg_endo -106.45 -92.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.268 -3.669 2 O-C-N 131.33 5.384 . . . . 20.81 104.348 179.353 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 56' ' ' ALA . . . . . 0.593 ' N ' ' HD2' ' C' ' 55' ' ' PRO . . . 173.81 129.45 0.11 Allowed Pre-proline 0 C--O 1.261 1.658 0 N-CA-C 104.821 -2.288 . . . . 14.98 104.821 -179.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 57' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' C' ' 80' ' ' TYR 0.422 2.9 Cg_exo -73.83 152.65 47.3 Favored 'Trans proline' 0 N--CA 1.503 2.064 1 O-C-N 128.718 4.009 . . . . 17.18 103.809 -173.738 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 58' ' ' ASP . . . . . 0.948 ' OD1' ' HB2' ' C' ' 80' ' ' TYR 0.257 9.2 p-10 -81.84 120.85 25.7 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 127.855 3.222 . . . . 20.08 103.998 -176.487 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 59' ' ' GLU . . . . . 0.762 ' OE1' HD12 ' C' ' 69' ' ' ILE . 3.9 mt-10 -114.56 2.25 14.51 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 118.338 2.718 . . . . 19.36 118.338 -179.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.71 62.86 1.54 Allowed 'General case' 0 C--O 1.254 1.292 1 CA-C-O 107.678 -5.915 . . . . 20.93 105.835 177.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 61' ' ' GLN . . . . . 0.855 ' NE2' ' O ' ' C' ' 130' ' ' HOH . 34.4 tt0 -160.47 -59.9 0.06 Allowed 'General case' 0 N--CA 1.502 2.134 2 O-C-N 136.259 8.474 . . . . 17.95 99.942 -177.281 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 62' ' ' SER . . . . . 0.636 ' OG ' HG21 ' C' ' 78' ' ' VAL 0.362 16.0 p -125.32 134.24 52.3 Favored 'General case' 0 N--CA 1.504 2.25 2 CA-C-O 135.201 7.191 . . . . 21.16 103.895 174.698 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 63' ' ' PHE . . . . . 1.246 ' O ' ' N ' ' C' ' 65' ' ' ASP . 0.2 OUTLIER -162.71 -92.77 0.02 OUTLIER 'General case' 0 C--N 1.367 1.333 2 CA-C-N 102.733 -6.576 . . . . 16.62 122.381 177.338 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 64' ' ' LEU . . . . . 0.78 ' C ' ' O ' ' C' ' 63' ' ' PHE 0.403 0.2 OUTLIER 23.78 14.18 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 115.57 -2.157 . . . . 15.13 107.213 -172.843 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 65' ' ' ASP . . . . . 1.246 ' N ' ' O ' ' C' ' 63' ' ' PHE 0.372 9.8 t70 -108.98 113.25 25.97 Favored 'General case' 0 N--CA 1.494 1.748 1 N-CA-C 98.664 -4.569 . . . . 18.05 98.664 171.278 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 66' ' ' ASP . . . . . . . . . . . . 0.529 8.1 m-20 -0.01 105.28 0.01 OUTLIER 'General case' 0 C--N 1.281 -2.41 2 C-N-CA 142.244 8.217 . . . . 17.54 112.189 -171.032 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 67' ' ' ASP . . . . . 0.655 ' O ' ' OE1' ' C' ' 68' ' ' GLN . 1.8 t0 -46.71 68.9 0.0 OUTLIER 'General case' 0 C--O 1.263 1.767 2 C-N-CA 143.133 8.573 . . . . 12.91 119.637 -179.992 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 68' ' ' GLN . . . . . 0.891 ' OE1' ' HA ' ' C' ' 68' ' ' GLN . 0.8 OUTLIER -160.46 36.85 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 1 CA-C-O 138.945 8.974 . . . . 20.58 109.82 -178.126 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 69' ' ' ILE . . . . . 0.762 HD12 ' OE1' ' C' ' 59' ' ' GLU 0.55 0.1 OUTLIER -39.05 -39.15 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.852 1 CA-C-N 98.592 -8.458 . . . . 31.69 100.56 178.548 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' C' C ' 70' ' ' GLN . . . . . 0.761 ' C ' ' N ' ' C' ' 72' ' ' GLY . 16.8 tt0 -57.69 -33.64 68.58 Favored 'General case' 0 C--N 1.289 -2.064 3 C-N-CA 147.127 10.171 . . . . 23.47 123.947 178.395 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 71' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' C' ' 70' ' ' GLN 0.354 . . -55.15 -22.04 15.61 Favored 'General case' 0 CA--C 1.577 1.986 3 N-CA-C 96.36 -5.422 . . . . 15.73 96.36 171.381 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 72' ' ' GLY . . . . . 0.761 ' N ' ' C ' ' C' ' 70' ' ' GLN . . . 119.36 29.93 1.66 Allowed Glycine 0 CA--C 1.536 1.387 0 N-CA-C 104.325 -3.51 . . . . 14.26 104.325 -178.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 73' ' ' TYR . . . . . 0.788 ' CD2' HD21 ' C' ' 95' ' ' LEU . 0.2 OUTLIER -84.41 107.42 16.66 Favored 'General case' 0 CA--C 1.508 -0.662 1 CA-C-O 128.901 4.191 . . . . 25.52 112.68 -178.565 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 74' ' ' ILE . . . . . 0.805 HD13 HG21 ' C' ' 87' ' ' ILE 0.316 4.5 mt -97.05 151.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 1 N-CA-C 123.057 4.465 . . . . 15.31 123.057 175.726 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 75' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' C' ' 45' ' ' SER . 54.4 mt -117.91 107.78 14.5 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 125.158 3.617 . . . . 14.49 106.446 175.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 76' ' ' THR . . . . . 0.564 ' OG1' HD11 ' C' ' 35' ' ' LEU . 38.4 p -57.85 -36.54 72.45 Favored 'General case' 0 C--O 1.269 2.111 0 N-CA-C 120.412 3.486 . . . . 15.85 120.412 -174.295 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 77' ' ' CYS . . . . . . . . . . . . . 25.7 p -61.65 -23.58 66.15 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 113.882 -2.961 . . . . 14.24 111.085 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 78' ' ' VAL . . . . . 0.669 ' O ' ' O ' ' C' ' 117' ' ' HOH 0.312 24.3 t -123.69 23.43 3.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 O-C-N 126.754 2.534 . . . . 17.83 114.259 -179.717 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.04 43.53 Favored 'General case' 0 C--O 1.243 0.711 2 CA-C-O 135.819 7.485 . . . . 16.96 121.828 174.553 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 80' ' ' TYR . . . . . 0.948 ' HB2' ' OD1' ' C' ' 58' ' ' ASP . 17.3 m-85 -104.83 125.25 34.32 Favored Pre-proline 0 C--O 1.264 1.841 3 O-C-N 114.652 -5.03 . . . . 18.36 107.106 173.558 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 81' ' ' PRO . . . . . 0.689 ' HG2' HG22 ' C' ' 18' ' ' VAL . 4.5 Cg_exo -67.57 158.82 55.38 Favored 'Trans proline' 0 C--O 1.251 1.125 0 N-CA-C 107.284 -1.852 . . . . 15.52 107.284 177.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 82' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 130' ' ' HOH . 9.6 m -114.75 -23.87 8.99 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 129.093 2.957 . . . . 16.43 112.763 -176.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.77 177.16 48.15 Favored Glycine 0 N--CA 1.43 -1.736 1 C-N-CA 140.457 8.646 . . . . 15.52 110.887 -178.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 84' ' ' ASP . . . . . 0.681 ' OD2' ' CG ' ' C' ' 4' ' ' LYS . 4.2 m-20 -64.84 154.09 38.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.266 -2.314 . . . . 18.02 107.414 -177.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 85' ' ' CYS . . . . . 0.596 ' HB3' ' HD3' ' C' ' 55' ' ' PRO . 1.7 p -162.4 164.55 27.19 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 111.929 -3.891 . . . . 24.16 112.373 -179.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 86' ' ' VAL . . . . . 0.633 HG23 ' HB ' ' C' ' 52' ' ' VAL 0.297 0.8 OUTLIER -117.0 137.22 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 1 O-C-N 131.455 5.472 . . . . 16.54 102.978 175.852 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' C' C ' 87' ' ' ILE . . . . . 0.94 HD13 ' CD2' ' C' ' 51' ' ' LEU . 0.0 OUTLIER -139.01 146.15 26.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 O-C-N 127.217 2.823 . . . . 16.73 116.165 -175.646 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 88' ' ' GLU . . . . . 0.595 ' HB3' ' HD2' ' C' ' 91' ' ' LYS 0.309 22.4 mt-10 -96.76 132.11 42.79 Favored 'General case' 0 N--CA 1.518 2.948 0 N-CA-C 105.423 -2.065 . . . . 22.5 105.423 178.885 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 89' ' ' THR . . . . . 0.527 ' OG1' ' CG2' ' C' ' 9' ' ' THR . 46.4 p -109.32 -26.07 10.23 Favored 'General case' 0 C--O 1.275 2.444 1 N-CA-C 126.443 5.72 . . . . 13.51 126.443 -172.085 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 90' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.35 57.88 0.75 Allowed 'General case' 0 C--N 1.286 -2.187 0 O-C-N 116.507 -3.87 . . . . 18.64 101.923 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 91' ' ' LYS . . . . . 0.838 ' HD3' ' HD2' ' C' ' 50' ' ' LYS . 0.2 OUTLIER -105.37 40.12 1.6 Allowed 'General case' 0 C--O 1.258 1.511 0 O-C-N 124.963 1.415 . . . . 15.98 113.766 -175.467 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 92' ' ' GLU . . . . . 0.887 ' O ' ' HB3' ' C' ' 93' ' ' GLU . 0.0 OUTLIER -99.97 74.87 1.83 Allowed 'General case' 0 C--O 1.26 1.613 1 CA-C-O 129.447 4.451 . . . . 15.45 111.354 177.046 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 93' ' ' GLU . . . . . 0.887 ' HB3' ' O ' ' C' ' 92' ' ' GLU . 0.9 OUTLIER 167.29 58.41 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 1 CA-C-O 132.267 5.794 . . . . 19.93 104.156 177.365 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 94' ' ' ALA . . . . . 0.72 ' HB3' ' OH ' ' C' ' 73' ' ' TYR . . . -155.93 -40.33 0.08 Allowed 'General case' 0 C--O 1.25 1.099 1 C-N-CA 133.386 4.674 . . . . 22.32 103.066 179.581 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 95' ' ' LEU . . . . . 0.788 HD21 ' CD2' ' C' ' 73' ' ' TYR 0.356 0.2 OUTLIER -85.08 -53.19 5.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 117.371 -1.732 . . . . 23.88 106.793 178.409 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . 0.304 1.3 m-85 . . . . . 0 N--CA 1.434 -1.256 1 C-N-CA 134.442 5.097 . . . . 23.11 108.92 179.038 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ALA . . . . . 1.062 ' O ' ' HA ' ' D' ' 19' ' ' PRO . . . . . . . . 0 C--O 1.21 -0.984 1 CA-C-O 131.227 5.299 . . . . 18.56 107.077 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . 0.348 0.3 OUTLIER -122.62 80.24 1.72 Allowed 'General case' 0 C--N 1.295 -1.774 1 CA-C-O 109.756 -4.926 . . . . 24.01 112.183 -176.83 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' D' D ' 3' ' ' TYR . . . . . 0.414 ' CE2' ' N ' ' D' ' 1' ' ' ALA . 13.9 m-85 -110.15 145.1 37.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 128.3 3.5 . . . . 18.59 106.407 -179.444 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' LYS . . . . . 0.427 ' HB2' ' HE2' ' D' ' 4' ' ' LYS . 0.2 OUTLIER -86.3 117.18 24.94 Favored 'General case' 0 C--O 1.262 1.74 1 CA-C-N 108.121 -4.127 . . . . 15.75 109.14 177.355 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 5' ' ' VAL . . . . . 0.642 HG23 HD12 ' D' ' 87' ' ' ILE 0.258 0.3 OUTLIER -129.14 131.47 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 127.582 3.051 . . . . 14.35 107.977 177.65 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 6' ' ' THR . . . . . 0.815 ' HB ' HG22 ' D' ' 15' ' ' VAL 0.252 0.1 OUTLIER -110.06 122.97 48.84 Favored 'General case' 0 C--O 1.251 1.172 1 O-C-N 130.541 4.9 . . . . 8.89 111.244 -176.847 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' D' D ' 7' ' ' LEU . . . . . 1.092 HD21 HG12 ' D' ' 16' ' ' ILE . 0.9 OUTLIER -91.41 101.96 14.64 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 110.2 -3.182 . . . . 17.6 110.349 -175.063 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 8' ' ' LYS . . . . . 0.848 ' CE ' ' HB ' ' D' ' 86' ' ' VAL . 0.1 OUTLIER -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 102.915 -2.995 . . . . 18.63 102.915 176.918 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 9' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' D' ' 12' ' ' GLY . 7.1 p -97.59 159.38 31.19 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.078 -2.328 . . . . 17.82 108.03 177.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -57.46 -27.18 75.06 Favored 'Trans proline' 0 C--N 1.293 -2.362 0 O-C-N 127.376 3.303 . . . . 22.18 106.409 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -81.37 0.03 OUTLIER 'General case' 0 C--O 1.269 2.088 1 N-CA-C 99.816 -4.142 . . . . 19.79 99.816 175.666 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 12' ' ' GLY . . . . . 0.628 ' O ' ' OG1' ' D' ' 9' ' ' THR . . . -164.88 -161.99 15.0 Favored Glycine 0 C--O 1.215 -1.052 0 CA-C-O 126.55 3.305 . . . . 17.18 114.084 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -87.82 86.61 7.18 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 111.951 -3.88 . . . . 13.87 101.612 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -83.13 130.34 35.1 Favored 'General case' 0 C--N 1.294 -1.822 1 O-C-N 133.64 6.837 . . . . 20.23 105.664 177.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 15' ' ' VAL . . . . . 0.815 HG22 ' HB ' ' D' ' 6' ' ' THR . 12.7 t -108.8 120.25 59.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.348 0 CA-C-N 121.688 2.04 . . . . 17.59 107.398 178.529 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ILE . . . . . 1.092 HG12 HD21 ' D' ' 7' ' ' LEU 0.636 0.7 OUTLIER -117.05 155.45 18.59 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.193 0 N-CA-C 103.553 -2.758 . . . . 15.59 103.553 -178.563 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . 0.306 89.0 m -119.44 116.27 25.79 Favored 'General case' 0 N--CA 1.427 -1.579 0 C-N-CA 130.28 3.432 . . . . 14.3 102.375 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . 1.103 HG22 ' HG3' ' D' ' 81' ' ' PRO 0.363 0.2 OUTLIER -135.04 128.95 18.83 Favored Pre-proline 0 N--CA 1.443 -0.781 1 O-C-N 130.479 4.862 . . . . 19.08 107.009 -175.381 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' D' D ' 19' ' ' PRO . . . . . 1.062 ' HA ' ' O ' ' D' ' 1' ' ' ALA . 41.0 Cg_endo -72.18 149.59 52.08 Favored 'Trans proline' 0 C--O 1.271 2.153 0 CA-C-N 109.161 -2.835 . . . . 18.27 104.832 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ASP . . . . . 0.549 ' CG ' ' H1 ' ' D' ' 1' ' ' ALA . 31.1 p-10 -63.07 -20.91 65.79 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 128.332 3.52 . . . . 23.46 114.033 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ASP . . . . . 0.409 ' O ' ' HE2' ' D' ' 80' ' ' TYR . 17.8 p-10 -92.4 17.8 9.36 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 115.072 -2.651 . . . . 18.3 107.513 178.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 22' ' ' GLU . . . . . 1.026 ' HG2' ' O ' ' D' ' 147' ' ' HOH . 2.2 tt0 -136.23 129.62 31.86 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 120.27 3.433 . . . . 18.84 120.27 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' TYR . . . . . 0.723 ' O ' HG23 ' D' ' 27' ' ' VAL . 17.7 m-85 -55.13 144.36 24.25 Favored 'General case' 0 C--O 1.266 1.943 0 CA-C-O 116.685 -1.626 . . . . 21.39 111.86 -176.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ILE . . . . . 0.487 HD12 ' O ' ' D' ' 79' ' ' ALA . 2.7 mp -59.14 -38.11 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 O-C-N 125.452 1.72 . . . . 11.83 112.976 178.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 25' ' ' LEU . . . . . 1.174 HD22 HG22 ' D' ' 76' ' ' THR . 0.4 OUTLIER -65.21 -55.53 18.02 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 119.01 -2.306 . . . . 17.31 106.611 -178.561 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ASP . . . . . 0.544 ' C ' ' O ' ' D' ' 25' ' ' LEU . 0.8 OUTLIER -39.55 -64.28 0.49 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 104.529 -2.397 . . . . 20.01 104.529 -176.826 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 27' ' ' VAL . . . . . 0.723 HG23 ' O ' ' D' ' 23' ' ' TYR 0.25 1.6 t -57.87 -24.16 22.52 Favored 'Isoleucine or valine' 0 C--O 1.269 2.102 1 O-C-N 133.452 6.72 . . . . 14.99 114.355 179.707 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' D' D ' 28' ' ' ALA . . . . . 0.639 ' N ' ' O ' ' D' ' 25' ' ' LEU . . . -59.6 -47.81 84.13 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 119.002 -2.311 . . . . 14.5 109.091 -177.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 29' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' D' ' 26' ' ' ASP . 12.8 mt-10 -67.5 -66.16 0.6 Allowed 'General case' 0 C--O 1.252 1.204 3 CA-C-O 110.859 -4.401 . . . . 17.36 113.459 -177.086 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.18 -43.28 52.34 Favored 'General case' 0 N--CA 1.486 1.338 1 O-C-N 134.543 7.402 . . . . 18.92 108.861 177.465 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 31' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' D' ' 149' ' ' HOH 0.289 63.1 mm-40 -58.37 -55.61 32.8 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 113.035 -3.364 . . . . 15.37 109.328 -179.402 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.64 -16.03 0.55 Allowed Glycine 0 N--CA 1.427 -1.95 0 N-CA-C 120.551 2.98 . . . . 14.44 120.551 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' LEU . . . . . 0.474 ' H ' ' HG ' ' D' ' 33' ' ' LEU . 0.0 OUTLIER -84.97 -154.35 0.18 Allowed 'General case' 0 C--O 1.271 2.213 0 CA-C-O 125.477 2.561 . . . . 17.02 114.332 -179.784 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 34' ' ' ASP . . . . . 1.001 ' O ' ' HB2' ' D' ' 35' ' ' LEU 0.25 0.0 OUTLIER -130.94 -152.45 0.51 Allowed 'General case' 0 C--O 1.263 1.763 1 CA-C-O 144.057 11.408 . . . . 20.34 115.054 176.036 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' D' D ' 35' ' ' LEU . . . . . 1.158 ' HG ' HG21 ' D' ' 76' ' ' THR . 0.3 OUTLIER 153.0 135.65 0.0 OUTLIER Pre-proline 0 C--O 1.258 1.54 1 CA-C-N 97.154 -9.112 . . . . 18.05 101.914 -176.75 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 36' ' ' PRO . . . . . 0.891 ' CD ' HD13 ' D' ' 35' ' ' LEU . 90.3 Cg_endo -62.95 140.15 77.74 Favored 'Trans proline' 0 C--N 1.313 -1.311 2 N-CA-C 97.123 -5.76 . . . . 16.06 97.123 174.09 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 37' ' ' TYR . . . . . 0.812 ' CE2' ' HG2' ' D' ' 40' ' ' ARG 0.31 0.0 OUTLIER -151.29 153.75 35.43 Favored 'General case' 0 C--N 1.275 -2.634 1 CA-C-O 111.41 -4.138 . . . . 22.23 102.038 -178.158 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' D' D ' 38' ' ' SER . . . . . 0.648 ' HB3' HG21 ' D' ' 46' ' ' THR 0.293 0.1 OUTLIER -140.11 -90.23 0.18 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 127.021 2.701 . . . . 15.82 105.143 -178.691 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -67.27 -12.15 59.38 Favored 'General case' 0 C--O 1.261 1.683 0 C-N-CA 126.411 1.884 . . . . 15.75 114.066 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' ARG . . . . . 0.812 ' HG2' ' CE2' ' D' ' 37' ' ' TYR . 0.0 OUTLIER 51.87 12.0 0.17 Allowed 'General case' 0 C--O 1.258 1.528 0 O-C-N 126.499 2.374 . . . . 17.39 111.17 177.052 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.95 18.2 9.31 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 118.231 -2.793 . . . . 14.29 116.393 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' GLY . . . . . 0.907 ' HA3' ' OG ' ' D' ' 62' ' ' SER . . . 69.85 31.65 70.06 Favored Glycine 0 C--N 1.309 -0.919 0 O-C-N 124.448 1.093 . . . . 11.75 112.812 -179.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 43' ' ' ALA . . . . . 0.672 ' O ' ' HB3' ' D' ' 44' ' ' CYS . . . -115.25 27.9 9.06 Favored 'General case' 0 C--N 1.284 -2.245 0 C-N-CA 129.773 3.229 . . . . 14.35 108.679 -179.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 44' ' ' CYS . . . . . 0.777 ' SG ' ' OG1' ' D' ' 46' ' ' THR 0.294 1.0 OUTLIER -169.26 -177.8 2.97 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 112.203 -3.799 . . . . 14.5 113.969 175.579 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 45' ' ' SER . . . . . . . . . . . . . 65.3 p -91.74 -23.93 19.6 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-N 111.509 -2.587 . . . . 17.07 113.792 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' THR . . . . . 0.777 ' OG1' ' SG ' ' D' ' 44' ' ' CYS 0.254 7.2 p -38.63 -71.93 0.07 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.808 2.568 . . . . 21.45 114.661 -177.778 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 47' ' ' CYS . . . . . 0.608 ' O ' ' HB ' ' D' ' 76' ' ' THR . 31.3 p -76.69 18.77 0.31 Allowed 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 120.194 3.405 . . . . 17.7 120.194 -177.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 48' ' ' ALA . . . . . 0.821 ' HB1' HD11 ' D' ' 95' ' ' LEU . . . -69.01 130.07 41.72 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 127.583 3.052 . . . . 15.3 113.519 -178.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.8 166.74 20.35 Favored Glycine 0 CA--C 1.548 2.156 1 C-N-CA 133.818 5.485 . . . . 13.39 111.377 178.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 50' ' ' LYS . . . . . 0.601 ' HB3' ' CG ' ' D' ' 88' ' ' GLU . 0.0 OUTLIER -120.23 129.82 54.25 Favored 'General case' 0 C--O 1.259 1.576 0 CA-C-N 110.782 -2.709 . . . . 17.41 114.752 179.594 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 51' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' D' ' 138' ' ' HOH . 0.1 OUTLIER -76.56 131.36 38.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 127.658 3.099 . . . . 15.4 106.196 175.425 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 52' ' ' VAL . . . . . 0.88 ' HB ' ' CG2' ' D' ' 86' ' ' VAL . 87.7 t -102.3 -74.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 O-C-N 129.002 3.939 . . . . 18.62 110.575 -178.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 53' ' ' SER . . . . . 0.571 ' O ' HD11 ' D' ' 51' ' ' LEU . 0.2 OUTLIER -128.43 160.65 31.59 Favored 'General case' 0 N--CA 1.481 1.079 1 CA-C-N 108.071 -4.15 . . . . 16.14 103.795 178.545 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.97 -156.03 18.04 Favored Glycine 0 C--O 1.25 1.095 0 N-CA-C 109.347 -1.501 . . . . 18.16 109.347 -177.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 55' ' ' PRO . . . . . 0.678 ' HD3' ' HB3' ' D' ' 85' ' ' CYS . 7.5 Cg_exo -96.28 -71.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.296 -2.184 1 C-N-CA 128.753 6.302 . . . . 17.34 109.843 179.972 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 56' ' ' ALA . . . . . 0.448 ' H ' ' HD2' ' D' ' 55' ' ' PRO . . . 146.94 113.12 0.0 OUTLIER Pre-proline 0 C--N 1.28 -2.455 2 CA-C-O 109.052 -5.261 . . . . 15.24 103.163 179.899 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 57' ' ' PRO . . . . . 0.671 ' HD3' ' CD2' ' D' ' 51' ' ' LEU . 9.5 Cg_exo -51.79 156.04 7.29 Favored 'Trans proline' 0 C--O 1.251 1.169 0 O-C-N 127.845 3.55 . . . . 16.17 113.733 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 58' ' ' ASP . . . . . 0.898 ' OD1' ' C ' ' D' ' 58' ' ' ASP . 2.0 t0 -84.21 90.82 7.58 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 125.133 2.397 . . . . 16.74 111.803 178.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -94.58 23.61 5.2 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 127.236 3.398 . . . . 16.75 112.636 -177.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 60' ' ' ASP . . . . . 0.911 ' O ' ' CG ' ' D' ' 60' ' ' ASP . 0.0 OUTLIER -75.12 77.16 2.28 Favored 'General case' 0 C--O 1.267 2.015 3 CA-C-O 109.25 -5.167 . . . . 16.04 99.428 176.794 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 61' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' D' ' 60' ' ' ASP . 2.2 tp60 172.01 -84.14 0.0 OUTLIER 'General case' 0 C--O 1.263 1.799 1 O-C-N 135.325 7.891 . . . . 19.24 112.111 -175.704 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 62' ' ' SER . . . . . 0.907 ' OG ' ' HA3' ' D' ' 42' ' ' GLY 0.282 22.7 t -100.93 95.64 6.73 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 115.242 -2.583 . . . . 17.42 112.127 -177.653 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 63' ' ' PHE . . . . . 1.193 ' O ' ' N ' ' D' ' 65' ' ' ASP 0.433 0.1 OUTLIER -119.62 -100.86 0.43 Allowed 'General case' 0 C--N 1.371 1.533 3 O-C-N 132.701 6.251 . . . . 16.35 117.781 175.573 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' D' D ' 64' ' ' LEU . . . . . 0.65 ' C ' ' O ' ' D' ' 63' ' ' PHE 0.524 4.6 mt 28.09 14.33 0.0 OUTLIER 'General case' 0 C--O 1.279 2.609 0 O-C-N 128.964 3.915 . . . . 17.45 105.802 -172.014 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 65' ' ' ASP . . . . . 1.193 ' N ' ' O ' ' D' ' 63' ' ' PHE 0.327 27.8 t0 -103.18 130.72 50.46 Favored 'General case' 0 N--CA 1.518 2.94 1 N-CA-C 98.983 -4.451 . . . . 17.83 98.983 174.726 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' D' D ' 66' ' ' ASP . . . . . 0.629 ' N ' ' OD2' ' D' ' 66' ' ' ASP 0.622 0.7 OUTLIER -21.04 111.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 111.755 -2.475 . . . . 17.64 114.881 -168.227 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 67' ' ' ASP . . . . . 0.638 ' OD2' ' C ' ' D' ' 67' ' ' ASP . 49.3 t0 -56.0 107.49 0.36 Allowed 'General case' 0 C--O 1.266 1.922 1 C-N-CA 131.854 4.062 . . . . 18.48 117.295 178.4 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 68' ' ' GLN . . . . . 0.811 ' OE1' ' HA ' ' D' ' 68' ' ' GLN . 3.8 tp60 169.17 56.54 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 CA-C-O 133.268 6.27 . . . . 20.04 103.388 178.098 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 69' ' ' ILE . . . . . 0.876 HD11 ' CE2' ' D' ' 63' ' ' PHE 0.344 0.6 OUTLIER -53.81 -52.32 36.18 Favored 'Isoleucine or valine' 0 C--O 1.26 1.635 1 CA-C-N 100.996 -7.366 . . . . 26.31 101.598 177.882 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' D' D ' 70' ' ' GLN . . . . . 1.001 ' O ' ' HG3' ' D' ' 70' ' ' GLN 0.327 8.5 tt0 -52.64 -17.62 1.38 Allowed 'General case' 0 C--N 1.298 -1.66 4 O-C-N 143.957 13.286 . . . . 17.38 120.409 -178.528 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' D' D ' 71' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' D' ' 142' ' ' HOH . . . -95.45 5.92 50.32 Favored 'General case' 0 C--N 1.305 -1.327 1 N-CA-C 98.793 -4.521 . . . . 13.73 98.793 175.363 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.96 20.81 27.28 Favored Glycine 0 C--O 1.254 1.394 1 CA-C-O 112.814 -4.325 . . . . 16.3 108.557 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 73' ' ' TYR . . . . . 0.706 ' O ' ' O ' ' D' ' 69' ' ' ILE 0.502 1.2 m-85 -91.58 142.33 27.75 Favored 'General case' 0 N--CA 1.499 2.024 3 CA-C-O 134.119 6.676 . . . . 18.01 99.414 176.961 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' D' D ' 74' ' ' ILE . . . . . 0.66 HD11 ' O ' ' D' ' 151' ' ' HOH . 1.2 mp -123.88 141.31 44.55 Favored 'Isoleucine or valine' 1 C--N 1.23 -4.598 2 C-N-CA 142.072 8.149 . . . . 16.99 116.261 -179.114 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' D' D ' 75' ' ' LEU . . . . . 0.419 HD22 ' HE1' ' D' ' 63' ' ' PHE . 2.0 mp -117.26 115.51 25.43 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 104.704 -2.332 . . . . 18.78 104.704 179.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 76' ' ' THR . . . . . 1.174 HG22 HD22 ' D' ' 25' ' ' LEU 0.347 0.9 OUTLIER -67.31 -29.34 68.89 Favored 'General case' 0 CA--C 1.493 -1.232 0 O-C-N 128.483 3.614 . . . . 15.69 119.441 -175.112 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 77' ' ' CYS . . . . . 0.415 ' SG ' HG13 ' D' ' 78' ' ' VAL . 5.5 p -63.38 -39.79 95.47 Favored 'General case' 0 C--N 1.31 -1.143 2 O-C-N 115.688 -4.382 . . . . 14.96 112.95 178.55 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 78' ' ' VAL . . . . . 0.764 HG11 ' CB ' ' D' ' 62' ' ' SER 0.282 26.6 m -116.88 21.16 6.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 119.189 3.033 . . . . 17.88 119.189 -178.162 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 79' ' ' ALA . . . . . 0.487 ' O ' HD12 ' D' ' 24' ' ' ILE . . . -92.55 116.49 29.04 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.267 2.854 . . . . 15.64 112.426 -179.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 80' ' ' TYR . . . . . 0.574 ' CE1' ' CE1' ' D' ' 23' ' ' TYR . 76.6 m-85 -96.84 133.06 24.86 Favored Pre-proline 0 C--N 1.307 -1.255 0 N-CA-C 104.561 -2.385 . . . . 17.76 104.561 179.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 81' ' ' PRO . . . . . 1.103 ' HG3' HG22 ' D' ' 18' ' ' VAL . 19.6 Cg_endo -58.11 163.66 9.53 Favored 'Trans proline' 0 C--N 1.291 -2.455 0 N-CA-C 107.89 -1.619 . . . . 17.21 107.89 -178.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 47.2 m -131.68 -20.99 2.53 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 116.988 -3.57 . . . . 16.98 115.207 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.24 176.23 47.7 Favored Glycine 0 N--CA 1.484 1.868 2 CA-C-O 108.223 -6.876 . . . . 20.68 100.77 -175.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.59 147.7 50.37 Favored 'General case' 0 N--CA 1.491 1.624 1 O-C-N 130.74 4.435 . . . . 13.42 106.518 -173.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 85' ' ' CYS . . . . . 0.678 ' HB3' ' HD3' ' D' ' 55' ' ' PRO . 2.4 p -160.24 162.11 33.62 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 125.477 3.762 . . . . 11.25 112.202 -179.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 86' ' ' VAL . . . . . 0.88 ' CG2' ' HB ' ' D' ' 52' ' ' VAL . 0.9 OUTLIER -117.89 135.13 59.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 106.055 -1.831 . . . . 9.1 106.055 176.389 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 87' ' ' ILE . . . . . 0.642 HD12 HG23 ' D' ' 5' ' ' VAL . 1.5 mt -138.53 142.64 34.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 128.901 2.88 . . . . 14.53 113.87 -175.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 88' ' ' GLU . . . . . 0.653 ' CB ' ' HD2' ' D' ' 91' ' ' LYS 0.523 7.5 mm-40 -86.4 118.14 25.64 Favored 'General case' 0 C--O 1.269 2.095 1 CA-C-O 110.824 -4.417 . . . . 14.87 103.802 176.878 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' D' D ' 89' ' ' THR . . . . . 0.56 HG21 ' CG2' ' D' ' 9' ' ' THR . 1.0 OUTLIER -76.37 -44.76 34.95 Favored 'General case' 0 C--O 1.283 2.82 1 N-CA-C 122.291 4.182 . . . . 17.41 122.291 -175.159 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' D' D ' 90' ' ' HIS . . . . . 0.509 ' HD1' ' HG1' ' D' ' 89' ' ' THR . 0.0 OUTLIER -107.58 105.92 16.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 125.845 1.966 . . . . 18.15 110.653 -174.908 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 91' ' ' LYS . . . . . 0.653 ' HD2' ' CB ' ' D' ' 88' ' ' GLU . 0.0 OUTLIER -145.53 47.06 1.29 Allowed 'General case' 0 C--O 1.25 1.082 0 O-C-N 119.104 -2.247 . . . . 15.44 112.147 -176.016 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 92' ' ' GLU . . . . . 0.98 ' OE1' HG22 ' A' ' 17' ' ' THR . 6.6 tt0 -101.99 66.77 1.04 Allowed 'General case' 0 C--O 1.247 0.952 0 N-CA-C 100.234 -3.987 . . . . 16.84 100.234 173.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.22 49.78 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 100.634 -3.839 . . . . 15.63 100.634 -176.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.46 -41.72 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.368 2 O-C-N 130.765 5.041 . . . . 15.15 104.003 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 95' ' ' LEU . . . . . 0.821 HD11 ' HB1' ' D' ' 48' ' ' ALA . 5.6 mt -90.69 -44.16 9.67 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 128.308 3.505 . . . . 16.09 113.164 176.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 96' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.292 3.339 1 CA-C-O 106.811 -6.328 . . . . 20.57 119.83 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' FES . . . . . 0.794 ' S2 ' ' HA2' ' A' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' FES . . . . . 1.088 ' S2 ' ' HA2' ' B' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 97' ' ' FES . . . . . 1.481 ' S2 ' ' HA2' ' C' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 97' ' ' FES . . . . . 0.668 ' S2 ' ' N ' ' D' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . 0.723 ' O ' ' OE2' ' A' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . 0.409 ' O ' ' HG2' ' A' ' 29' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . 1.117 ' O ' ' HG ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . 0.514 ' O ' ' O ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . 0.623 ' O ' HD13 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . 0.654 ' O ' ' HD2' ' A' ' 55' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . 0.655 ' O ' HG23 ' C' ' 82' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . 0.886 ' O ' ' O ' ' B' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . 0.789 ' O ' ' HB3' ' B' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . 0.648 ' O ' ' O ' ' B' ' 57' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . 0.718 ' O ' ' HB1' ' B' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . 1.032 ' O ' ' HG2' ' B' ' 29' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . 0.58 ' O ' ' O ' ' B' ' 34' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . 0.589 ' O ' HG22 ' B' ' 46' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . 0.746 ' O ' ' HB ' ' B' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 135' ' ' HOH . . . . . 0.594 ' O ' ' NE ' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' HOH . . . . . 0.599 ' O ' ' HD2' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' HOH . . . . . 0.744 ' O ' ' CD2' ' B' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . 0.479 ' O ' ' HD3' ' C' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 115' ' ' HOH . . . . . 0.491 ' O ' ' O ' ' C' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 117' ' ' HOH . . . . . 0.669 ' O ' ' O ' ' C' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 126' ' ' HOH . . . . . 0.479 ' O ' ' HB2' ' C' ' 20' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 127' ' ' HOH . . . . . 0.552 ' O ' ' HG3' ' C' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 130' ' ' HOH . . . . . 0.855 ' O ' ' NE2' ' C' ' 61' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 131' ' ' HOH . . . . . 1.027 ' O ' ' HB3' ' C' ' 53' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 143' ' ' HOH . . . . . 1.063 ' O ' ' HB2' ' C' ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 147' ' ' HOH . . . . . 0.529 ' O ' ' HE1' ' C' ' 37' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 138' ' ' HOH . . . . . 0.851 ' O ' ' HG ' ' D' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 141' ' ' HOH . . . . . 0.626 ' O ' ' HB2' ' D' ' 67' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 142' ' ' HOH . . . . . 0.434 ' O ' ' HA ' ' D' ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 147' ' ' HOH . . . . . 1.026 ' O ' ' HG2' ' D' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 148' ' ' HOH . . . . . 1.0 ' O ' ' CG ' ' D' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 149' ' ' HOH . . . . . 0.485 ' O ' ' HB3' ' D' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 151' ' ' HOH . . . . . 0.66 ' O ' HD11 ' D' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.55 ' O ' ' HA ' ' A' ' 19' ' ' PRO 0.304 . . . . . . . 0 C--O 1.272 2.246 0 CA-C-O 122.293 1.044 . . . . 14.52 108.244 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -166.95 79.86 0.21 Allowed 'General case' 0 N--CA 1.53 3.561 1 O-C-N 115.584 -4.447 . . . . 19.27 109.175 175.866 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.056 ' CD1' ' HA2' ' A' ' 83' ' ' GLY . 20.2 m-85 -82.38 139.24 34.17 Favored 'General case' 0 CA--C 1.499 -0.991 0 CA-C-O 123.58 1.657 . . . . 14.42 109.719 -178.035 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 8.9 mmtt -78.35 106.18 10.09 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 105.169 -2.16 . . . . 17.81 105.169 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 117' ' ' HOH . 1.6 m -112.48 132.57 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 C-N-CA 116.22 -2.192 . . . . 14.89 105.868 177.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . 0.586 ' OG1' HG13 ' A' ' 15' ' ' VAL . 51.8 m -96.4 128.89 43.74 Favored 'General case' 0 C--N 1.273 -2.749 1 C-N-CA 135.906 5.682 . . . . 14.24 108.167 174.764 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.117 ' HG ' ' O ' ' A' ' 117' ' ' HOH . 0.0 OUTLIER -117.11 125.77 51.78 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 103.525 -2.768 . . . . 14.87 103.525 177.03 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HB3' ' OD2' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -98.77 94.19 6.48 Favored 'General case' 0 N--CA 1.496 1.85 1 CA-C-O 129.276 4.369 . . . . 14.32 102.018 178.977 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . 1.089 ' HB ' ' HD2' ' A' ' 10' ' ' PRO . 27.2 p -99.41 169.72 7.77 Favored Pre-proline 0 C--O 1.268 2.038 0 CA-C-O 127.908 3.718 . . . . 15.52 110.531 179.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . 1.089 ' HD2' ' HB ' ' A' ' 9' ' ' THR . 16.3 Cg_endo -29.14 -79.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 CA-C-N 108.257 -3.158 . . . . 15.65 106.967 177.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.694 ' OD1' ' HG2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -61.3 -14.58 27.81 Favored 'General case' 0 C--N 1.297 -1.684 2 N-CA-C 124.646 5.054 . . . . 21.34 124.646 -175.217 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.88 -177.54 39.65 Favored Glycine 0 N--CA 1.508 3.496 1 C-N-CA 113.037 -4.411 . . . . 25.74 103.699 -179.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' OD2' ' HB3' ' A' ' 8' ' ' LYS . 83.6 m-20 -102.33 98.14 8.3 Favored 'General case' 0 C--O 1.272 2.252 1 O-C-N 132.943 5.731 . . . . 16.13 107.476 179.39 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -96.23 143.85 26.95 Favored 'General case' 0 N--CA 1.509 2.486 1 O-C-N 129.406 4.191 . . . . 14.74 108.59 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.586 HG13 ' OG1' ' A' ' 6' ' ' THR . 1.8 t -119.64 114.98 46.12 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.902 0 C-N-CA 115.865 -2.334 . . . . 19.61 110.148 179.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.906 HG23 ' HG3' ' A' ' 31' ' ' GLU 0.268 0.5 OUTLIER -96.35 176.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.232 0 CA-C-O 126.866 3.222 . . . . 17.92 102.58 178.383 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.98 HG22 ' OE1' ' D' ' 92' ' ' GLU 0.438 2.6 t -140.74 126.19 18.85 Favored 'General case' 0 C--O 1.275 2.399 1 N-CA-C 98.257 -4.719 . . . . 19.76 98.257 178.366 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.929 HG22 ' HG3' ' A' ' 81' ' ' PRO 0.28 0.6 OUTLIER -131.71 141.96 43.51 Favored Pre-proline 0 N--CA 1.488 1.461 0 N-CA-C 104.982 -2.229 . . . . 19.53 104.982 -177.038 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 1' ' ' ALA . 34.4 Cg_endo -74.68 153.62 43.58 Favored 'Trans proline' 0 C--O 1.264 1.784 0 O-C-N 126.073 2.617 . . . . 18.83 105.446 177.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -68.39 2.04 2.59 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 123.418 1.58 . . . . 14.11 113.696 -179.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.423 0.8 OUTLIER -118.38 14.54 13.79 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 113.406 -3.318 . . . . 15.46 104.513 -178.463 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.76 ' OE1' ' HB3' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -121.59 128.04 51.54 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 126.977 2.673 . . . . 22.79 112.114 -178.86 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.985 ' OH ' ' OE1' ' A' ' 61' ' ' GLN . 20.8 m-30 -63.68 135.51 56.78 Favored 'General case' 0 C--O 1.263 1.767 0 O-C-N 126.788 2.555 . . . . 16.13 104.863 178.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 79' ' ' ALA . 16.8 mt -54.65 -27.81 18.56 Favored 'Isoleucine or valine' 0 C--O 1.256 1.41 1 O-C-N 130.036 4.585 . . . . 18.35 114.287 -171.979 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.053 ' CD2' ' HA ' ' A' ' 77' ' ' CYS 0.256 0.0 OUTLIER -88.92 -27.28 21.07 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 126.583 2.427 . . . . 15.41 104.989 -179.989 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.76 ' HB3' ' OE1' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -54.76 -50.26 68.85 Favored 'General case' 0 N--CA 1.498 1.955 0 N-CA-C 103.456 -2.794 . . . . 15.76 103.456 178.899 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.825 HG21 ' HB ' ' A' ' 18' ' ' VAL 0.263 2.1 t -62.19 -56.81 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 126.393 2.308 . . . . 11.79 115.084 -178.725 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . . . -40.25 -49.89 2.72 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 126.235 2.21 . . . . 14.85 110.81 176.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 106' ' ' HOH . 35.7 mt-10 -63.37 -46.2 87.61 Favored 'General case' 0 C--O 1.256 1.42 0 N-CA-C 116.093 1.886 . . . . 14.88 116.093 178.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -57.15 -41.82 79.88 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 113.392 -1.731 . . . . 22.38 107.646 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.906 ' HG3' HG23 ' A' ' 16' ' ' ILE . 22.6 mm-40 -60.18 -37.21 79.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 113.935 -2.936 . . . . 17.67 106.122 177.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 120.6 18.59 3.99 Favored Glycine 0 N--CA 1.474 1.22 2 O-C-N 129.909 4.506 . . . . 15.51 112.803 177.041 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.62 164.22 12.55 Favored 'General case' 0 C--N 1.306 -1.285 1 CA-C-O 136.873 7.987 . . . . 15.56 111.537 177.907 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.565 ' OD2' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -113.42 163.41 14.91 Favored 'General case' 0 C--O 1.254 1.336 3 CA-C-O 137.782 8.42 . . . . 23.07 107.334 176.61 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.076 HD22 ' HD2' ' A' ' 36' ' ' PRO . 1.2 tm? -172.69 140.16 0.97 Allowed Pre-proline 0 C--N 1.277 -2.55 3 C-N-CA 140.048 7.339 . . . . 17.56 95.563 179.166 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . 1.076 ' HD2' HD22 ' A' ' 35' ' ' LEU . 41.2 Cg_endo -75.56 135.86 18.58 Favored 'Trans proline' 0 C--N 1.312 -1.367 1 O-C-N 131.679 5.568 . . . . 18.08 112.368 175.873 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' C ' ' CD2' ' A' ' 37' ' ' TYR . 33.0 p90 -143.68 172.02 13.39 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 123.834 3.015 . . . . 19.27 107.855 172.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . 0.928 ' OG ' HG21 ' A' ' 46' ' ' THR . 0.9 OUTLIER -123.65 -88.39 0.61 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 127.476 3.513 . . . . 15.63 113.046 175.465 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.861 ' SG ' ' HB3' ' A' ' 43' ' ' ALA . 6.0 p -67.21 -25.29 66.04 Favored 'General case' 0 C--N 1.309 -1.178 1 CA-C-O 108.961 -5.304 . . . . 18.51 115.371 -173.777 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.32 4.65 4.72 Favored 'General case' 0 C--N 1.295 -1.766 1 O-C-N 133.19 6.556 . . . . 15.95 105.91 -179.325 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -6.75 9.77 Favored 'General case' 0 C--N 1.308 -1.226 1 N-CA-C 122.504 4.261 . . . . 14.26 122.504 -174.812 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.794 ' HA2' ' S2 ' ' A' ' 97' ' ' FES . . . 79.99 18.31 72.61 Favored Glycine 0 C--N 1.291 -1.94 1 CA-C-N 126.747 4.34 . . . . 10.6 108.855 171.321 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.861 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . . . -87.25 -14.62 40.49 Favored 'General case' 0 C--N 1.284 -2.25 2 CA-C-N 107.074 -4.563 . . . . 15.13 110.477 -178.117 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 45' ' ' SER . 1.0 OUTLIER -147.04 -154.79 0.57 Allowed 'General case' 0 CA--C 1.507 -0.684 1 O-C-N 129.216 4.072 . . . . 14.31 116.769 -176.773 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . 0.713 ' HB2' ' OE2' ' A' ' 92' ' ' GLU 0.266 0.4 OUTLIER -118.25 -23.16 7.4 Favored 'General case' 0 C--O 1.266 1.961 0 N-CA-C 121.092 3.738 . . . . 15.4 121.092 -174.875 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . 0.928 HG21 ' OG ' ' A' ' 38' ' ' SER 0.309 72.1 p -41.66 -42.93 2.66 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 119.405 3.113 . . . . 14.83 119.405 -179.571 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.946 ' HA ' HD11 ' A' ' 35' ' ' LEU . 30.6 p -97.39 23.45 7.56 Favored 'General case' 0 C--O 1.265 1.915 0 CA-C-N 122.866 2.576 . . . . 17.5 113.711 179.851 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.39 134.1 53.89 Favored 'General case' 0 C--O 1.25 1.107 0 CA-C-O 128.127 3.823 . . . . 15.98 115.538 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -118.54 168.18 13.16 Favored Glycine 0 C--O 1.271 2.468 0 O-C-N 117.161 -3.462 . . . . 11.42 108.79 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.926 ' NZ ' ' O ' ' A' ' 71' ' ' ALA . 2.6 tmtt? -132.67 124.42 28.2 Favored 'General case' 0 N--CA 1.488 1.468 3 O-C-N 130.44 4.259 . . . . 10.6 107.76 175.138 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.817 HD23 HG22 ' A' ' 87' ' ' ILE . 1.4 mt -73.22 131.41 41.95 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 126.488 2.368 . . . . 13.84 105.772 179.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.986 ' HB ' ' CG2' ' A' ' 86' ' ' VAL . 77.5 t -91.29 -64.79 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.399 0 N-CA-C 101.678 -3.452 . . . . 14.08 101.678 177.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . 0.681 ' O ' HD22 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -130.01 160.83 32.46 Favored 'General case' 0 C--O 1.255 1.369 0 C-N-CA 128.732 2.813 . . . . 20.31 111.446 179.859 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 114.91 -157.05 15.24 Favored Glycine 0 C--O 1.258 1.627 0 O-C-N 126.977 2.673 . . . . 20.9 115.167 176.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.809 ' HB2' HG22 ' A' ' 82' ' ' THR . 5.2 Cg_exo -82.48 -98.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.323 -0.814 0 O-C-N 126.282 2.728 . . . . 15.89 106.546 -178.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.679 ' O ' ' HB ' ' A' ' 82' ' ' THR 0.277 . . 177.73 138.17 0.23 Allowed Pre-proline 0 C--N 1.287 -2.12 1 N-CA-C 98.73 -4.544 . . . . 14.61 98.73 -177.197 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.849 ' HA ' ' O ' ' A' ' 80' ' ' TYR . 39.5 Cg_endo -84.74 131.19 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.81 1 O-C-N 133.339 6.441 . . . . 13.16 104.564 -179.559 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.899 ' OD1' ' OD1' ' A' ' 60' ' ' ASP 0.288 0.0 OUTLIER -51.69 102.71 0.05 OUTLIER 'General case' 0 N--CA 1.52 3.044 0 O-C-N 126.84 2.587 . . . . 15.31 109.321 179.059 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.768 ' OE2' ' HA ' ' A' ' 74' ' ' ILE 0.358 0.3 OUTLIER -107.97 32.01 5.08 Favored 'General case' 0 N--CA 1.506 2.356 0 CA-C-O 127.055 3.312 . . . . 17.51 106.313 -178.367 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.899 ' OD1' ' OD1' ' A' ' 58' ' ' ASP . 11.4 p-10 -75.49 71.03 2.4 Favored 'General case' 0 N--CA 1.486 1.341 1 N-CA-C 98.437 -4.653 . . . . 16.91 98.437 176.666 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.985 ' OE1' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -160.47 -74.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 1 CA-C-O 130.451 4.929 . . . . 15.32 110.322 -179.519 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . 1.147 ' OG ' ' CG1' ' A' ' 78' ' ' VAL . 41.2 m -75.05 101.31 4.47 Favored 'General case' 0 C--O 1.279 2.646 2 CA-C-O 107.641 -5.933 . . . . 17.97 102.697 -177.71 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . 1.021 ' CD1' ' O ' ' A' ' 62' ' ' SER 0.6 0.0 OUTLIER -133.51 -91.04 0.37 Allowed 'General case' 0 C--O 1.281 2.723 3 O-C-N 134.6 7.437 . . . . 16.92 117.22 175.695 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.086 ' HG ' ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER 12.07 12.56 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.267 1 CA-C-N 137.756 9.344 . . . . 18.38 106.699 -177.414 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' O ' ' CZ ' ' A' ' 63' ' ' PHE 0.329 0.4 OUTLIER -117.29 100.98 8.05 Favored 'General case' 0 N--CA 1.492 1.665 1 CA-C-O 129.178 4.323 . . . . 18.18 106.187 -176.098 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.461 1.6 m-20 -4.72 108.79 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.887 2 C-N-CA 132.086 4.154 . . . . 16.7 111.531 -173.499 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -44.26 66.17 0.0 OUTLIER 'General case' 0 C--O 1.252 1.207 1 C-N-CA 133.476 4.71 . . . . 16.73 119.629 -174.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.747 ' HG3' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -141.33 45.85 1.73 Allowed 'General case' 0 C--O 1.264 1.848 0 C-N-CA 128.273 2.629 . . . . 17.74 115.251 -179.044 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.777 ' H ' HD13 ' A' ' 69' ' ' ILE 0.272 0.0 OUTLIER -66.12 -34.79 72.59 Favored 'Isoleucine or valine' 0 C--O 1.286 2.99 1 CA-C-O 109.188 -5.196 . . . . 26.55 105.542 178.363 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.535 HE21 ' C ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -47.17 -38.47 11.91 Favored 'General case' 0 C--O 1.264 1.825 2 O-C-N 140.289 10.993 . . . . 22.22 119.268 -179.921 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.926 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . . . -64.91 -14.79 60.87 Favored 'General case' 0 C--O 1.246 0.881 1 CA-C-O 132.797 6.046 . . . . 17.96 109.29 176.036 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 6.08 45.26 Favored Glycine 0 CA--C 1.55 2.226 2 N-CA-C 102.013 -4.435 . . . . 15.69 102.013 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.776 ' OH ' ' HB1' ' A' ' 94' ' ' ALA . 70.4 m-85 -83.05 106.44 14.87 Favored 'General case' 0 C--O 1.205 -1.275 1 C-N-CA 109.103 -5.039 . . . . 18.99 113.251 -179.172 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.768 ' HA ' ' OE2' ' A' ' 59' ' ' GLU 0.353 0.8 OUTLIER -94.24 138.6 20.2 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.755 0 C-N-CA 131.669 3.988 . . . . 15.96 118.04 167.401 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.558 HD13 ' HA2' ' A' ' 42' ' ' GLY . 6.7 mt -98.79 87.87 3.88 Favored 'General case' 0 C--N 1.317 -0.832 2 O-C-N 113.871 -5.518 . . . . 14.51 116.354 178.393 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . 0.579 ' OG1' ' O ' ' A' ' 47' ' ' CYS 0.276 70.3 p -42.3 -21.82 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.772 1 N-CA-C 122.578 4.288 . . . . 15.47 122.578 -174.924 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . 1.053 ' HA ' ' CD2' ' A' ' 25' ' ' LEU . 26.9 p -85.19 -13.35 50.29 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 124.07 3.123 . . . . 13.34 112.285 -176.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.147 ' CG1' ' OG ' ' A' ' 62' ' ' SER 0.341 1.1 t -137.96 42.91 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.003 1 O-C-N 129.589 4.305 . . . . 14.21 112.403 178.145 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.685 ' O ' ' HA ' ' A' ' 23' ' ' TYR . . . -115.39 138.24 51.2 Favored 'General case' 0 CA--C 1.54 0.595 1 O-C-N 116.292 -4.005 . . . . 13.31 111.274 -178.532 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.849 ' O ' ' HA ' ' A' ' 57' ' ' PRO 0.264 82.2 m-85 -116.95 123.33 30.32 Favored Pre-proline 0 C--N 1.302 -1.498 0 CA-C-N 110.635 -2.984 . . . . 14.53 103.155 173.843 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.929 ' HG3' HG22 ' A' ' 18' ' ' VAL . 80.9 Cg_endo -71.74 143.2 41.17 Favored 'Trans proline' 0 C--O 1.253 1.251 1 O-C-N 129.418 4.378 . . . . 15.51 106.48 175.401 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . 0.809 HG22 ' HB2' ' A' ' 55' ' ' PRO . 0.8 OUTLIER -111.17 -3.72 15.3 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 125.738 1.899 . . . . 18.24 112.865 -178.595 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . 1.056 ' HA2' ' CD1' ' A' ' 3' ' ' TYR . . . -179.97 -156.21 17.36 Favored Glycine 0 N--CA 1.484 1.835 0 CA-C-O 114.665 -3.297 . . . . 16.68 106.576 -179.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 4' ' ' LYS 0.295 1.9 m-20 -75.13 148.06 39.99 Favored 'General case' 0 N--CA 1.499 2.023 1 O-C-N 132.511 5.477 . . . . 20.1 108.621 178.659 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 84' ' ' ASP . 28.9 p -169.25 162.29 10.5 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 115.071 -2.652 . . . . 13.85 113.46 -174.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.986 ' CG2' ' HB ' ' A' ' 52' ' ' VAL . 0.6 OUTLIER -129.15 137.53 56.84 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 N-CA-C 102.231 -3.248 . . . . 12.56 102.231 -179.161 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.817 HG22 HD23 ' A' ' 51' ' ' LEU 0.296 1.2 pp -149.14 131.62 6.35 Favored 'Isoleucine or valine' 0 C--O 1.258 1.549 0 C-N-CA 115.894 -2.322 . . . . 20.63 111.057 178.251 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.624 ' HG3' ' HB3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -68.35 143.64 55.08 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 110.296 -3.138 . . . . 21.9 103.299 173.028 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . 0.848 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 2.4 p -120.51 -23.46 6.09 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 121.208 3.781 . . . . 17.01 121.208 -173.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -90.61 95.46 10.17 Favored 'General case' 0 N--CA 1.503 2.187 0 N-CA-C 101.128 -3.656 . . . . 15.55 101.128 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.79 ' CD ' ' HB2' ' A' ' 50' ' ' LYS 0.256 3.0 mtpt -130.33 28.35 4.98 Favored 'General case' 0 N--CA 1.498 1.961 2 N-CA-C 126.467 5.728 . . . . 16.09 126.467 -177.355 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.713 ' OE2' ' HB2' ' A' ' 45' ' ' SER . 1.7 pt-20 -92.26 99.09 11.93 Favored 'General case' 0 C--O 1.262 1.719 0 CA-C-O 127.136 3.35 . . . . 17.84 105.171 167.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . 0.353 14.0 mm-40 157.19 47.27 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.847 3 CA-C-O 130.105 4.764 . . . . 16.94 98.184 -175.063 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.803 ' O ' ' CE2' ' A' ' 96' ' ' TYR . . . -166.2 -65.4 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.048 1 CA-C-N 106.972 -4.649 . . . . 17.18 102.815 -179.556 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.7 mt -52.67 -51.65 59.31 Favored 'General case' 0 C--O 1.251 1.171 0 CA-C-O 126.952 3.263 . . . . 16.88 110.83 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.803 ' CE2' ' O ' ' A' ' 94' ' ' ALA 0.288 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.659 1 CA-C-N 104.588 -5.733 . . . . 17.11 100.243 -175.581 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.886 ' O ' ' O ' ' B' ' 98' ' ' HOH . . . . . . . . 0 C--O 1.281 2.731 0 N-CA-C 117.546 2.424 . . . . 17.27 117.546 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . 0.656 ' HB3' ' O ' ' B' ' 98' ' ' HOH 0.314 0.6 OUTLIER -166.2 76.97 0.22 Allowed 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.717 1.144 . . . . 18.02 108.708 -179.81 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.597 ' CD1' ' HA2' ' B' ' 83' ' ' GLY . 4.3 m-85 -83.03 161.95 21.55 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 128.831 3.832 . . . . 21.16 108.725 178.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.262 4.2 mtmt -95.26 113.46 25.13 Favored 'General case' 0 N--CA 1.411 -2.382 1 C-N-CA 132.884 4.473 . . . . 17.4 105.281 -178.944 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 p -123.1 125.57 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 1 O-C-N 130.392 4.807 . . . . 13.99 101.522 174.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' THR . . . . . 0.7 ' OG1' HG23 ' B' ' 15' ' ' VAL . 57.6 m -90.39 134.35 34.39 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 113.568 -3.111 . . . . 16.54 104.232 175.383 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -113.6 116.67 29.87 Favored 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 123.448 2.84 . . . . 13.21 105.535 173.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -91.04 82.9 5.56 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 126.653 3.121 . . . . 14.93 105.076 177.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' THR . . . . . 1.164 ' HA ' ' CG2' ' B' ' 89' ' ' THR . 4.6 p -90.17 147.91 38.1 Favored Pre-proline 0 C--O 1.258 1.524 0 C-N-CA 128.478 2.711 . . . . 15.72 114.032 -179.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.618 ' HD3' HG23 ' B' ' 89' ' ' THR 0.331 53.3 Cg_exo -46.73 -32.78 12.6 Favored 'Trans proline' 0 N--CA 1.493 1.473 1 CA-C-O 109.228 -4.572 . . . . 16.22 116.261 179.237 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . 0.298 0.2 OUTLIER -81.28 -51.8 7.99 Favored 'General case' 0 CA--C 1.557 1.216 1 CA-C-N 130.016 5.826 . . . . 16.86 105.777 175.85 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.45 -159.03 8.91 Favored Glycine 0 N--CA 1.417 -2.587 2 N-CA-C 130.035 6.774 . . . . 16.31 130.035 178.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -134.11 64.5 1.6 Allowed 'General case' 0 CA--C 1.544 0.741 1 C-N-CA 134.465 5.106 . . . . 18.9 105.458 -178.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.693 ' N ' HD22 ' B' ' 14' ' ' ASN . 0.0 OUTLIER -80.66 132.43 35.59 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-O 112.089 -3.815 . . . . 15.91 115.682 -177.109 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.7 HG23 ' OG1' ' B' ' 6' ' ' THR 0.282 0.4 OUTLIER -102.22 123.68 55.63 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 O-C-N 126.08 2.112 . . . . 14.93 107.607 176.454 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.927 HD12 ' HG3' ' B' ' 31' ' ' GLU 0.579 23.4 mm -105.19 157.85 5.93 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 1 C-N-CA 134.937 5.295 . . . . 18.05 108.266 -179.49 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . 0.266 0.9 OUTLIER -130.73 112.51 13.15 Favored 'General case' 0 C--N 1.307 -1.265 2 O-C-N 114.084 -5.385 . . . . 14.89 102.099 -178.977 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.816 HG13 HG21 ' B' ' 27' ' ' VAL 0.278 13.3 t -124.22 132.52 24.31 Favored Pre-proline 0 N--CA 1.409 -2.476 1 C-N-CA 133.034 4.534 . . . . 14.36 119.573 -177.899 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 18' ' ' VAL . 20.8 Cg_exo -68.9 144.31 58.2 Favored 'Trans proline' 0 C--O 1.261 1.644 0 CA-C-O 129.274 3.781 . . . . 16.26 104.144 172.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' B' ' 21' ' ' ASP . 6.1 p-10 -57.53 -17.57 14.57 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 109.771 -3.377 . . . . 17.49 110.152 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.789 ' HB3' ' O ' ' B' ' 103' ' ' HOH . 17.8 p-10 -119.75 32.3 6.13 Favored 'General case' 0 N--CA 1.502 2.127 1 O-C-N 129.879 4.487 . . . . 16.63 112.357 -174.803 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.17 120.61 20.29 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 111.959 -3.877 . . . . 17.51 114.096 178.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.744 ' CD2' ' O ' ' B' ' 137' ' ' HOH . 14.0 m-30 -51.06 145.07 8.01 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 122.215 2.279 . . . . 17.14 105.476 175.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.35 -18.98 24.82 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 1 C-N-CA 133.273 4.629 . . . . 13.26 111.166 -177.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.709 HD13 HG22 ' B' ' 76' ' ' THR . 1.0 OUTLIER -96.34 -28.05 14.67 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 128.679 3.737 . . . . 15.87 112.881 -177.076 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -43.77 77.94 Favored 'General case' 0 N--CA 1.485 1.321 1 CA-C-O 128.682 4.087 . . . . 18.13 100.83 177.301 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.816 HG21 HG13 ' B' ' 18' ' ' VAL . 0.0 OUTLIER -68.2 -59.29 3.85 Favored 'Isoleucine or valine' 0 C--O 1.262 1.759 0 CA-C-N 108.601 -3.908 . . . . 15.13 109.285 179.477 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' B' ' 27' ' ' VAL . . . -35.38 -70.9 0.08 Allowed 'General case' 0 N--CA 1.477 0.917 1 O-C-N 131.258 5.349 . . . . 14.77 110.996 -177.431 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . 1.032 ' HG2' ' O ' ' B' ' 121' ' ' HOH . 0.1 OUTLIER -35.16 -45.39 0.29 Allowed 'General case' 0 C--O 1.264 1.826 0 C-N-CA 131.501 3.92 . . . . 18.23 113.535 178.96 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.708 ' HB3' ' O ' ' B' ' 27' ' ' VAL . 4.2 tp10 -57.92 -64.67 0.83 Allowed 'General case' 0 C--N 1.357 0.917 1 O-C-N 131.551 5.532 . . . . 19.01 107.424 179.151 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.927 ' HG3' HD12 ' B' ' 16' ' ' ILE . 11.1 mm-40 -43.21 -66.81 0.33 Allowed 'General case' 0 C--N 1.354 0.777 0 CA-C-N 109.701 -3.409 . . . . 17.23 103.912 177.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.56 23.46 0.07 OUTLIER Glycine 0 C--O 1.271 2.446 0 CA-C-O 125.385 2.659 . . . . 15.15 112.315 174.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.521 ' C ' ' OD2' ' B' ' 34' ' ' ASP . 2.6 mp -89.69 -172.62 3.63 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 119.233 -2.334 . . . . 13.95 107.842 -178.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.788 ' OD2' ' N ' ' B' ' 34' ' ' ASP . 0.0 OUTLIER -141.62 178.24 7.6 Favored 'General case' 0 N--CA 1.494 1.757 1 CA-C-O 134.669 6.937 . . . . 18.12 109.987 176.427 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . 1.24 HD13 ' O ' ' B' ' 36' ' ' PRO . 0.0 OUTLIER 178.52 137.28 0.25 Allowed Pre-proline 0 C--N 1.292 -1.915 1 CA-C-N 107.442 -4.436 . . . . 17.29 100.379 178.15 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PRO . . . . . 1.24 ' O ' HD13 ' B' ' 35' ' ' LEU . 11.1 Cg_endo -48.62 135.63 27.25 Favored 'Trans proline' 0 C--N 1.298 -2.109 1 O-C-N 130.479 4.936 . . . . 17.02 108.122 176.74 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.498 ' HB3' ' O ' ' B' ' 36' ' ' PRO 0.313 0.4 OUTLIER -158.87 139.4 12.5 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 113.608 -3.237 . . . . 15.38 108.807 173.247 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 3.8 p -114.14 -83.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 119.587 -1.946 . . . . 13.81 112.903 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' CYS . . . . . 1.281 ' O ' ' HG3' ' B' ' 40' ' ' ARG . 26.5 p -68.89 -19.88 64.23 Favored 'General case' 0 C--O 1.251 1.16 0 N-CA-C 114.268 1.21 . . . . 16.15 114.268 -175.435 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ARG . . . . . 1.281 ' HG3' ' O ' ' B' ' 39' ' ' CYS . 0.5 OUTLIER 49.89 11.47 0.06 Allowed 'General case' 0 C--N 1.312 -1.043 1 CA-C-O 110.582 -4.532 . . . . 18.65 110.465 -178.114 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.67 13.44 21.18 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 122.717 2.508 . . . . 14.33 116.546 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . 1.088 ' HA2' ' S2 ' ' B' ' 97' ' ' FES . . . 59.19 44.65 96.27 Favored Glycine 0 CA--C 1.531 1.037 0 C-N-CA 129.392 3.377 . . . . 13.6 110.85 179.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -107.01 -10.33 15.96 Favored 'General case' 0 C--O 1.261 1.69 0 N-CA-C 118.805 2.891 . . . . 13.12 118.805 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' CYS . . . . . 0.687 ' SG ' HG23 ' B' ' 46' ' ' THR . 15.2 p -138.26 -163.63 1.49 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 118.446 2.758 . . . . 15.71 118.446 179.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . 0.69 ' HB2' HD13 ' B' ' 95' ' ' LEU . 5.8 p -115.08 2.75 14.25 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 113.562 -3.255 . . . . 15.85 114.234 -178.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' THR . . . . . 0.687 HG23 ' SG ' ' B' ' 44' ' ' CYS 0.564 0.5 OUTLIER -61.77 -19.41 62.45 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 111.913 -3.899 . . . . 15.37 114.672 -176.437 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' CYS . . . . . 0.612 ' SG ' HD12 ' B' ' 75' ' ' LEU . 28.5 p -110.02 27.95 9.09 Favored 'General case' 0 C--O 1.265 1.911 0 CA-C-N 124.568 3.349 . . . . 13.53 112.148 175.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ALA . . . . . 1.263 ' CB ' HD11 ' B' ' 95' ' ' LEU . . . -58.15 147.63 29.45 Favored 'General case' 0 C--N 1.313 -0.992 0 O-C-N 127.452 2.97 . . . . 13.56 109.72 176.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.69 160.37 31.83 Favored Glycine 0 N--CA 1.514 3.866 0 N-CA-C 105.299 -3.12 . . . . 14.73 105.299 -176.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.759 ' N ' ' CD1' ' B' ' 87' ' ' ILE . 0.7 OUTLIER -138.47 127.17 23.55 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-N 119.57 1.685 . . . . 12.8 113.791 -174.371 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.556 ' HG ' HD11 ' B' ' 74' ' ' ILE 0.326 12.5 mt -65.78 144.76 56.67 Favored 'General case' 0 N--CA 1.496 1.828 2 O-C-N 130.187 4.679 . . . . 12.42 105.43 -177.198 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 86' ' ' VAL 0.303 0.0 OUTLIER -105.71 -71.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.75 2 CA-C-N 108.022 -4.172 . . . . 15.28 99.985 174.865 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' SER . . . . . 0.612 ' O ' ' HA ' ' B' ' 85' ' ' CYS . 1.1 m -129.5 131.89 46.75 Favored 'General case' 0 C--N 1.308 -1.204 1 CA-C-O 130.756 5.074 . . . . 15.49 121.043 -179.16 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLY . . . . . 0.409 ' HA3' ' HD3' ' B' ' 55' ' ' PRO . . . 135.24 -148.16 19.47 Favored Glycine 0 N--CA 1.436 -1.303 2 O-C-N 114.787 -4.946 . . . . 16.91 124.955 177.922 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' PRO . . . . . 0.722 ' O ' ' HB2' ' B' ' 56' ' ' ALA . 5.2 Cg_endo -83.96 -103.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.143 1 N-CA-C 99.25 -4.942 . . . . 16.03 99.25 -177.345 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' B' ' 55' ' ' PRO . . . 150.51 129.37 0.0 OUTLIER Pre-proline 0 C--N 1.288 -2.109 1 N-CA-C 99.318 -4.327 . . . . 15.48 99.318 -178.848 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PRO . . . . . 0.648 ' O ' ' O ' ' B' ' 112' ' ' HOH . 25.8 Cg_exo -59.5 142.38 98.83 Favored 'Trans proline' 0 C--N 1.315 -1.235 1 O-C-N 133.673 6.617 . . . . 18.43 119.411 178.926 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.446 ' OD2' ' HD1' ' B' ' 80' ' ' TYR . 0.0 OUTLIER -68.05 122.61 18.59 Favored 'General case' 0 C--N 1.316 -0.878 1 N-CA-C 99.988 -4.078 . . . . 13.97 99.988 177.517 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -124.39 15.49 8.96 Favored 'General case' 0 C--N 1.317 -0.819 1 O-C-N 132.251 5.969 . . . . 14.9 110.496 -177.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.83 72.75 10.1 Favored 'General case' 0 C--O 1.271 2.199 0 N-CA-C 102.515 -3.143 . . . . 21.02 102.515 177.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.664 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 0.2 OUTLIER -160.03 -58.77 0.06 Allowed 'General case' 0 C--N 1.262 -3.236 0 O-C-N 127.21 2.819 . . . . 22.66 111.273 -176.88 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' SER . . . . . 1.314 ' OG ' HG11 ' B' ' 78' ' ' VAL . 60.0 p -127.92 79.89 1.92 Allowed 'General case' 0 C--O 1.264 1.868 1 CA-C-O 110.293 -4.67 . . . . 21.12 103.304 -179.772 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' PHE . . . . . 1.045 ' CE1' HD23 ' B' ' 75' ' ' LEU 0.64 0.5 OUTLIER -97.07 -99.1 0.19 Allowed 'General case' 0 N--CA 1.502 2.148 3 C-N-CA 100.644 -8.422 . . . . 18.53 103.534 179.669 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . 1.007 HD12 ' C ' ' B' ' 63' ' ' PHE . 0.4 OUTLIER 59.55 -11.73 0.04 OUTLIER 'General case' 0 C--O 1.286 3.014 0 CA-C-N 125.671 3.85 . . . . 20.32 113.916 176.876 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.974 ' O ' ' CE2' ' B' ' 63' ' ' PHE 0.409 0.8 OUTLIER -123.98 80.87 1.86 Allowed 'General case' 0 N--CA 1.487 1.403 2 CA-C-O 136.954 8.026 . . . . 15.15 97.488 174.372 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . 0.289 4.5 m-20 -30.96 153.3 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 4 CA-C-O 141.12 10.01 . . . . 16.15 129.422 -170.472 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . 1.144 ' O ' ' HG2' ' B' ' 68' ' ' GLN 0.292 6.0 t0 -21.98 82.2 0.0 OUTLIER 'General case' 0 N--CA 1.415 -2.19 3 C-N-CA 138.245 6.618 . . . . 18.13 117.325 -169.769 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLN . . . . . 1.144 ' HG2' ' O ' ' B' ' 67' ' ' ASP 0.314 9.3 mm-40 -178.25 38.74 0.0 OUTLIER 'General case' 0 C--O 1.274 2.346 2 CA-C-O 131.066 5.222 . . . . 22.48 109.941 176.567 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . 0.371 1.3 pp -60.26 -34.27 56.68 Favored 'Isoleucine or valine' 0 C--O 1.285 2.949 1 CA-C-N 104.903 -5.59 . . . . 19.42 106.314 -178.943 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLN . . . . . 0.643 ' HG2' ' N ' ' B' ' 71' ' ' ALA 0.497 3.8 tt0 -49.08 -55.1 13.2 Favored 'General case' 0 N--CA 1.395 -3.212 2 C-N-CA 154.164 12.986 . . . . 22.0 117.115 -179.251 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.643 ' N ' ' HG2' ' B' ' 70' ' ' GLN . . . -57.83 -31.69 66.87 Favored 'General case' 0 N--CA 1.479 1.001 2 O-C-N 135.182 7.801 . . . . 14.73 100.36 -179.799 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' B' ' 70' ' ' GLN . . . 125.34 15.67 3.0 Favored Glycine 0 CA--C 1.551 2.306 0 N-CA-C 105.251 -3.14 . . . . 13.79 105.251 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TYR . . . . . 0.427 ' CZ ' ' HE2' ' B' ' 50' ' ' LYS 0.262 87.2 m-85 -76.51 133.15 39.85 Favored 'General case' 0 N--CA 1.492 1.639 2 CA-C-O 134.692 6.949 . . . . 17.22 105.126 179.516 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.73 HD12 HD13 ' B' ' 87' ' ' ILE . 53.0 mt -116.4 119.97 63.53 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.636 3 C-N-CA 147.224 10.21 . . . . 15.97 125.895 172.274 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.045 HD23 ' CE1' ' B' ' 63' ' ' PHE . 3.9 mm? -93.26 89.48 6.42 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 117.83 -3.044 . . . . 14.94 114.701 176.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' THR . . . . . 0.709 HG22 HD13 ' B' ' 25' ' ' LEU . 2.9 m -46.76 -13.47 0.03 OUTLIER 'General case' 0 N--CA 1.421 -1.91 2 N-CA-C 123.133 4.494 . . . . 14.59 123.133 -176.749 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.14 -15.65 23.18 Favored 'General case' 0 C--N 1.312 -1.051 0 C-N-CA 129.697 3.199 . . . . 15.92 108.774 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . 1.314 HG11 ' OG ' ' B' ' 62' ' ' SER . 0.3 OUTLIER -127.54 6.74 3.33 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 2 N-CA-C 123.881 4.771 . . . . 14.11 123.881 -176.826 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' B' ' 23' ' ' TYR . . . -96.32 132.16 42.09 Favored 'General case' 0 C--N 1.306 -1.317 1 C-N-CA 135.59 5.556 . . . . 15.26 117.93 -177.454 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' B' ' 21' ' ' ASP . 6.2 m-85 -114.57 143.86 30.73 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 117.454 -3.279 . . . . 15.32 105.831 177.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' PRO . . . . . 0.425 ' HG2' ' CG1' ' B' ' 18' ' ' VAL . 37.0 Cg_exo -56.48 157.16 19.35 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 N-CA-C 103.937 -3.14 . . . . 16.09 103.937 179.061 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' THR . . . . . 0.475 HG22 ' HB2' ' B' ' 55' ' ' PRO . 2.5 m -133.33 -16.76 2.38 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 102.911 -2.996 . . . . 14.22 102.911 -178.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.636 ' HA3' ' HG2' ' B' ' 55' ' ' PRO . . . 178.99 -170.04 41.66 Favored Glycine 0 N--CA 1.466 0.667 1 O-C-N 132.181 5.926 . . . . 14.44 113.424 -177.41 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -80.66 117.85 21.71 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 105.989 -1.856 . . . . 29.99 105.989 178.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' B' ' 53' ' ' SER . 1.1 p -137.77 168.68 19.2 Favored 'General case' 0 N--CA 1.485 1.312 0 O-C-N 125.394 1.684 . . . . 15.33 113.982 -178.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 52' ' ' VAL . 73.5 t -118.4 122.53 69.76 Favored 'Isoleucine or valine' 0 C--O 1.272 2.271 0 CA-C-O 112.579 -3.582 . . . . 12.95 107.381 179.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.759 ' CD1' ' N ' ' B' ' 50' ' ' LYS 0.405 0.1 OUTLIER -142.69 134.05 24.55 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.467 0 CA-C-N 122.515 2.416 . . . . 7.99 113.315 -176.931 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.689 ' OE1' ' NZ ' ' B' ' 91' ' ' LYS . 0.6 OUTLIER -77.86 131.25 37.45 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 106.165 -1.791 . . . . 18.05 106.165 175.944 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' THR . . . . . 1.164 ' CG2' ' HA ' ' B' ' 9' ' ' THR . 0.1 OUTLIER -73.79 -67.62 0.58 Allowed 'General case' 0 N--CA 1.391 -3.391 3 CA-C-O 107.188 -6.149 . . . . 17.35 121.869 -171.731 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.894 ' CD2' ' HD3' ' B' ' 36' ' ' PRO . 28.9 m80 -91.38 106.23 18.35 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 128.518 3.636 . . . . 18.4 108.201 -176.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.689 ' NZ ' ' OE1' ' B' ' 88' ' ' GLU . 2.6 mmtp -128.8 25.64 5.62 Favored 'General case' 0 C--O 1.269 2.13 1 O-C-N 116.208 -4.058 . . . . 16.34 112.08 -174.758 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.493 ' OE1' ' HB ' ' B' ' 46' ' ' THR . 1.4 pt-20 -101.84 89.33 3.63 Favored 'General case' 0 N--CA 1.5 2.067 2 CA-C-O 138.123 8.582 . . . . 13.69 107.537 175.955 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.899 ' O ' ' HB2' ' B' ' 94' ' ' ALA 0.327 44.2 mt-10 157.87 85.21 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 2 C-N-CA 144.397 9.079 . . . . 18.97 100.481 177.377 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.899 ' HB2' ' O ' ' B' ' 93' ' ' GLU 0.322 . . 165.31 -49.97 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.678 2 CA-C-O 130.704 5.049 . . . . 15.82 101.706 -179.13 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' LEU . . . . . 1.263 HD11 ' CB ' ' B' ' 48' ' ' ALA . 1.1 mt -69.27 -88.71 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 1 CA-C-N 107.227 -4.533 . . . . 18.23 108.4 171.424 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' TYR . . . . . 0.778 ' CE2' ' N ' ' B' ' 94' ' ' ALA . 11.1 m-30 . . . . . 0 C--O 1.269 2.084 0 CA-C-O 114.089 -2.862 . . . . 20.7 114.559 -176.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.744 1 CA-C-O 110.896 -4.383 . . . . 16.5 115.571 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' C' ' 19' ' ' PRO . 61.3 m 175.99 115.74 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 123.062 2.665 . . . . 19.69 108.749 175.188 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.5 ' HD1' ' OD1' ' C' ' 84' ' ' ASP . 44.4 m-85 -111.04 141.85 43.98 Favored 'General case' 0 C--N 1.311 -1.078 2 CA-C-O 137.663 8.363 . . . . 15.15 123.376 -175.272 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.681 ' CG ' ' OD2' ' C' ' 84' ' ' ASP 0.306 0.0 OUTLIER -69.28 114.84 7.9 Favored 'General case' 0 C--O 1.258 1.55 2 O-C-N 115.209 -4.682 . . . . 14.99 104.161 173.912 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' VAL . . . . . 1.051 HG13 HD13 ' C' ' 16' ' ' ILE 0.251 0.1 OUTLIER -125.39 107.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 O-C-N 119.948 -1.72 . . . . 12.98 109.703 176.816 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' THR . . . . . 0.479 HG23 HG22 ' C' ' 15' ' ' VAL . 0.1 OUTLIER -90.06 124.66 34.97 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 128.165 3.415 . . . . 13.91 102.803 179.782 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.639 ' CD2' HG22 ' C' ' 5' ' ' VAL . 0.1 OUTLIER -106.33 131.07 53.99 Favored 'General case' 0 CA--C 1.551 0.986 1 N-CA-C 100.086 -4.042 . . . . 15.03 100.086 176.273 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.974 ' HG2' ' OD1' ' C' ' 13' ' ' ASP . 31.9 mttt -111.03 91.35 3.63 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 103.308 -2.849 . . . . 18.91 103.308 179.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' THR . . . . . 0.527 ' CG2' ' OG1' ' C' ' 89' ' ' THR . 0.9 OUTLIER -104.46 164.11 15.89 Favored Pre-proline 0 C--N 1.299 -1.59 0 CA-C-O 127.302 3.43 . . . . 14.69 114.299 177.63 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' PRO . . . . . 0.487 ' HD2' ' HB ' ' C' ' 9' ' ' THR . 25.4 Cg_exo -48.19 -34.62 24.57 Favored 'Trans proline' 0 C--O 1.255 1.368 0 C-N-CA 123.904 3.07 . . . . 17.49 116.891 178.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.06 -27.81 28.03 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 130.539 3.536 . . . . 21.19 109.846 179.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.51 170.45 31.42 Favored Glycine 0 N--CA 1.489 2.213 0 C-N-CA 115.404 -3.284 . . . . 19.38 116.204 -177.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ASP . . . . . 0.974 ' OD1' ' HG2' ' C' ' 8' ' ' LYS . 8.4 m-20 -93.88 105.61 17.62 Favored 'General case' 0 C--N 1.305 -1.359 2 CA-C-O 108.095 -5.717 . . . . 17.41 99.047 179.539 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -113.84 133.92 55.12 Favored 'General case' 0 C--N 1.304 -1.407 1 O-C-N 130.1 4.625 . . . . 20.5 116.446 -179.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.479 HG22 HG23 ' C' ' 6' ' ' THR 0.258 1.8 t -101.43 114.13 39.75 Favored 'Isoleucine or valine' 0 C--O 1.254 1.322 0 O-C-N 126.212 2.195 . . . . 13.82 115.297 178.684 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ILE . . . . . 1.051 HD13 HG13 ' C' ' 5' ' ' VAL 0.379 0.0 OUTLIER -107.51 163.07 5.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.571 0 CA-C-O 127.081 3.324 . . . . 16.04 103.338 174.507 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' C' ' 3' ' ' TYR . 80.9 m -118.04 145.26 44.92 Favored 'General case' 0 C--O 1.266 1.953 1 N-CA-C 95.913 -5.588 . . . . 18.99 95.913 -177.977 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.765 HG13 ' CG1' ' C' ' 5' ' ' VAL . 0.7 OUTLIER -160.21 123.4 1.93 Allowed Pre-proline 0 N--CA 1.495 1.813 1 O-C-N 130.848 5.092 . . . . 17.79 103.341 -177.214 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' C' ' 2' ' ' SER . 50.2 Cg_exo -62.75 142.61 89.75 Favored 'Trans proline' 0 C--O 1.254 1.295 0 O-C-N 125.683 2.412 . . . . 15.95 112.012 175.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' C' ' 126' ' ' HOH . 6.1 p-10 -39.26 -19.58 0.01 OUTLIER 'General case' 0 C--O 1.268 2.043 0 C-N-CA 129.356 3.062 . . . . 15.59 112.255 173.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . 0.262 2.8 p30 -114.19 16.52 18.01 Favored 'General case' 0 C--O 1.267 1.978 1 CA-C-O 108.135 -5.698 . . . . 14.46 116.521 177.47 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' C' ' 127' ' ' HOH . 43.1 tt0 -113.93 155.85 25.05 Favored 'General case' 0 C--O 1.257 1.496 0 O-C-N 128.161 3.413 . . . . 19.32 109.038 176.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.821 ' OH ' ' NE2' ' C' ' 61' ' ' GLN . 13.7 m-85 -74.79 137.3 41.84 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 106.475 -1.676 . . . . 14.96 106.475 178.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ILE . . . . . 0.409 HD13 HG21 ' C' ' 5' ' ' VAL . 2.0 mt -57.73 -37.66 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 124.439 2.066 . . . . 13.58 106.054 -176.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -55.41 24.55 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 127.309 3.433 . . . . 18.35 109.994 -179.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ASP . . . . . 0.696 ' OD2' ' HB2' ' C' ' 23' ' ' TYR . 0.5 OUTLIER -52.71 -44.81 66.58 Favored 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 114.138 -2.839 . . . . 22.99 106.47 -172.53 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.515 HG21 ' HB ' ' C' ' 18' ' ' VAL . 2.6 t -74.41 -26.75 20.61 Favored 'Isoleucine or valine' 0 C--O 1.273 2.302 1 O-C-N 131.03 5.206 . . . . 15.75 110.391 -178.594 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . 0.365 . . -64.02 -54.32 36.06 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 113.519 -3.272 . . . . 13.13 104.458 -179.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -54.82 -38.31 67.22 Favored 'General case' 0 C--N 1.296 -1.75 0 C-N-CA 128.518 2.727 . . . . 12.23 110.274 -175.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' GLU . . . . . 1.063 ' HB2' ' O ' ' C' ' 143' ' ' HOH . 15.6 tp10 -63.77 -79.08 0.04 OUTLIER 'General case' 0 C--O 1.259 1.574 0 O-C-N 127.795 3.184 . . . . 19.35 103.708 -176.718 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.641 ' C ' ' O ' ' C' ' 30' ' ' GLU . 1.5 mp0 -30.68 -48.53 0.11 Allowed 'General case' 0 C--O 1.263 1.8 1 O-C-N 130.593 4.933 . . . . 16.51 108.432 176.161 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' C' ' 30' ' ' GLU . . . 134.23 15.23 1.16 Allowed Glycine 0 C--O 1.266 2.132 0 O-C-N 116.829 -3.669 . . . . 15.02 118.469 178.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.65 -178.69 5.6 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-O 128.196 3.855 . . . . 19.2 111.876 -178.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -101.47 157.42 16.82 Favored 'General case' 0 C--O 1.252 1.191 1 CA-C-N 106.92 -4.673 . . . . 21.93 110.896 -178.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' LEU . . . . . 0.996 HD11 ' HB2' ' C' ' 47' ' ' CYS 0.545 2.6 tm? 176.13 109.2 0.11 Allowed Pre-proline 0 CA--C 1.591 2.537 2 C-N-CA 134.994 5.317 . . . . 18.26 98.305 176.533 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' PRO . . . . . 0.639 ' O ' HD13 ' C' ' 35' ' ' LEU . 19.3 Cg_endo -48.79 115.36 1.61 Allowed 'Trans proline' 0 C--N 1.317 -1.109 1 O-C-N 133.016 6.271 . . . . 13.98 111.595 175.039 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' TYR . . . . . 0.529 ' HE1' ' O ' ' C' ' 147' ' ' HOH . 53.1 p90 -136.73 174.71 10.32 Favored 'General case' 0 N--CA 1.487 1.387 1 CA-C-N 129.44 5.564 . . . . 17.42 104.611 176.032 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' SER . . . . . . . . . . . . 0.287 92.1 p -145.2 -81.37 0.16 Allowed 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 114.561 -2.638 . . . . 15.81 105.518 176.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -64.29 -18.2 64.36 Favored 'General case' 0 C--O 1.251 1.163 1 O-C-N 132.384 6.053 . . . . 14.3 115.294 -174.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' C' ' 112' ' ' HOH 0.289 0.1 OUTLIER 56.9 6.09 0.28 Allowed 'General case' 0 C--N 1.3 -1.576 1 CA-C-O 111.143 -4.265 . . . . 17.32 110.297 179.436 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.34 5.09 11.82 Favored 'General case' 0 C--N 1.285 -2.22 0 C-N-CA 129.956 3.302 . . . . 13.21 115.416 -172.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' GLY . . . . . 1.481 ' HA2' ' S2 ' ' C' ' 97' ' ' FES . . . 45.91 51.97 10.24 Favored Glycine 0 C--N 1.292 -1.9 0 C-N-CA 128.213 2.816 . . . . 16.45 109.057 176.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ALA . . . . . 0.468 ' N ' ' S2 ' ' C' ' 97' ' ' FES 0.299 . . -135.94 33.15 2.91 Favored 'General case' 0 N--CA 1.505 2.316 1 CA-C-O 129.666 4.555 . . . . 15.96 106.1 178.363 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' CYS . . . . . 0.435 ' SG ' HG23 ' C' ' 46' ' ' THR . 0.1 OUTLIER -153.36 -175.93 5.57 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 109.62 -3.446 . . . . 13.66 107.578 -178.725 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' SER . . . . . 0.488 ' HA ' HD21 ' C' ' 75' ' ' LEU . 10.2 p -127.14 0.49 6.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 117.236 -3.415 . . . . 16.36 115.378 -177.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' THR . . . . . 0.435 HG23 ' SG ' ' C' ' 44' ' ' CYS . 1.3 p -62.89 -37.96 88.99 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 123.152 2.706 . . . . 18.61 113.965 -174.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' CYS . . . . . 0.996 ' HB2' HD11 ' C' ' 35' ' ' LEU . 15.9 p -84.91 24.0 1.12 Allowed 'General case' 0 C--O 1.254 1.332 0 CA-C-O 117.56 -1.21 . . . . 15.33 109.847 176.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' C' ' 95' ' ' LEU . . . -67.83 135.16 52.13 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 120.558 1.527 . . . . 6.11 110.841 -175.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 88' ' ' GLU . . . -125.17 170.26 17.11 Favored Glycine 0 C--N 1.276 -2.803 1 C-N-CA 134.878 5.99 . . . . 11.63 112.771 174.802 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' LYS . . . . . 0.838 ' HD2' ' HD3' ' C' ' 91' ' ' LYS . 0.0 OUTLIER -144.96 123.72 12.6 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 118.013 -3.051 . . . . 19.57 111.404 173.635 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' LEU . . . . . 0.94 ' CD2' HD13 ' C' ' 87' ' ' ILE . 0.0 OUTLIER -66.77 134.14 51.56 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 113.619 -3.086 . . . . 15.81 105.128 -177.776 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' VAL . . . . . 0.633 ' HB ' HG23 ' C' ' 86' ' ' VAL 0.259 2.3 t -98.82 -70.07 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 1 O-C-N 136.493 8.621 . . . . 15.09 103.326 177.226 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' SER . . . . . 1.027 ' HB3' ' O ' ' C' ' 131' ' ' HOH . 10.8 p -131.73 174.01 10.57 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 114.111 -3.035 . . . . 15.82 104.065 174.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.56 -148.96 17.78 Favored Glycine 1 N--CA 1.523 4.497 3 N-CA-C 100.726 -4.95 . . . . 18.09 100.726 179.377 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' C' ' 85' ' ' CYS . 7.0 Cg_endo -106.45 -92.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.268 -3.669 2 O-C-N 131.33 5.384 . . . . 20.81 104.348 179.353 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' ALA . . . . . 0.593 ' N ' ' HD2' ' C' ' 55' ' ' PRO . . . 173.81 129.45 0.11 Allowed Pre-proline 0 C--O 1.261 1.658 0 N-CA-C 104.821 -2.288 . . . . 14.98 104.821 -179.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' C' ' 80' ' ' TYR 0.422 2.9 Cg_exo -73.83 152.65 47.3 Favored 'Trans proline' 0 N--CA 1.503 2.064 1 O-C-N 128.718 4.009 . . . . 17.18 103.809 -173.738 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' ASP . . . . . 0.948 ' OD1' ' HB2' ' C' ' 80' ' ' TYR 0.257 9.2 p-10 -81.84 120.85 25.7 Favored 'General case' 0 C--N 1.31 -1.142 0 O-C-N 127.855 3.222 . . . . 20.08 103.998 -176.487 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' GLU . . . . . 0.762 ' OE1' HD12 ' C' ' 69' ' ' ILE . 3.9 mt-10 -114.56 2.25 14.51 Favored 'General case' 0 C--O 1.249 1.056 0 N-CA-C 118.338 2.718 . . . . 19.36 118.338 -179.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -75.71 62.86 1.54 Allowed 'General case' 0 C--O 1.254 1.292 1 CA-C-O 107.678 -5.915 . . . . 20.93 105.835 177.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' GLN . . . . . 0.821 ' NE2' ' OH ' ' C' ' 23' ' ' TYR . 21.5 tt0 -160.47 -59.9 0.06 Allowed 'General case' 0 N--CA 1.502 2.134 2 O-C-N 136.259 8.474 . . . . 17.95 99.942 -177.281 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' SER . . . . . 0.636 ' OG ' HG21 ' C' ' 78' ' ' VAL 0.362 16.0 p -125.32 134.24 52.3 Favored 'General case' 0 N--CA 1.504 2.25 2 CA-C-O 135.201 7.191 . . . . 21.16 103.895 174.698 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' PHE . . . . . 1.246 ' O ' ' N ' ' C' ' 65' ' ' ASP . 0.2 OUTLIER -162.71 -92.77 0.02 OUTLIER 'General case' 0 C--N 1.367 1.333 2 CA-C-N 102.733 -6.576 . . . . 16.62 122.381 177.338 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' LEU . . . . . 0.78 ' C ' ' O ' ' C' ' 63' ' ' PHE 0.403 0.2 OUTLIER 23.78 14.18 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 115.57 -2.157 . . . . 15.13 107.213 -172.843 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' ASP . . . . . 1.246 ' N ' ' O ' ' C' ' 63' ' ' PHE 0.372 9.8 t70 -108.98 113.25 25.97 Favored 'General case' 0 N--CA 1.494 1.748 1 N-CA-C 98.664 -4.569 . . . . 18.05 98.664 171.278 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' ASP . . . . . . . . . . . . 0.529 8.1 m-20 -0.01 105.28 0.01 OUTLIER 'General case' 0 C--N 1.281 -2.41 2 C-N-CA 142.244 8.217 . . . . 17.54 112.189 -171.032 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' ASP . . . . . 0.655 ' O ' ' OE1' ' C' ' 68' ' ' GLN . 1.8 t0 -46.71 68.9 0.0 OUTLIER 'General case' 0 C--O 1.263 1.767 2 C-N-CA 143.133 8.573 . . . . 12.91 119.637 -179.992 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' GLN . . . . . 0.891 ' OE1' ' HA ' ' C' ' 68' ' ' GLN . 0.8 OUTLIER -160.46 36.85 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 1 CA-C-O 138.945 8.974 . . . . 20.58 109.82 -178.126 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' ILE . . . . . 0.762 HD12 ' OE1' ' C' ' 59' ' ' GLU 0.55 0.1 OUTLIER -39.05 -39.15 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.283 2.852 1 CA-C-N 98.592 -8.458 . . . . 31.69 100.56 178.548 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' GLN . . . . . 0.761 ' C ' ' N ' ' C' ' 72' ' ' GLY . 21.0 tt0 -57.69 -33.64 68.58 Favored 'General case' 0 C--N 1.289 -2.064 3 C-N-CA 147.127 10.171 . . . . 23.47 123.947 178.395 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' C' ' 70' ' ' GLN 0.354 . . -55.15 -22.04 15.61 Favored 'General case' 0 CA--C 1.577 1.986 3 N-CA-C 96.36 -5.422 . . . . 15.73 96.36 171.381 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' GLY . . . . . 0.761 ' N ' ' C ' ' C' ' 70' ' ' GLN . . . 119.36 29.93 1.66 Allowed Glycine 0 CA--C 1.536 1.387 0 N-CA-C 104.325 -3.51 . . . . 14.26 104.325 -178.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' TYR . . . . . 0.788 ' CD2' HD21 ' C' ' 95' ' ' LEU . 0.2 OUTLIER -84.41 107.42 16.66 Favored 'General case' 0 CA--C 1.508 -0.662 1 CA-C-O 128.901 4.191 . . . . 25.52 112.68 -178.565 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' ILE . . . . . 0.805 HD13 HG21 ' C' ' 87' ' ' ILE 0.316 4.5 mt -97.05 151.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 1 N-CA-C 123.057 4.465 . . . . 15.31 123.057 175.726 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' C' ' 45' ' ' SER . 54.4 mt -117.91 107.78 14.5 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 125.158 3.617 . . . . 14.49 106.446 175.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' THR . . . . . 0.564 ' OG1' HD11 ' C' ' 35' ' ' LEU . 38.4 p -57.85 -36.54 72.45 Favored 'General case' 0 C--O 1.269 2.111 0 N-CA-C 120.412 3.486 . . . . 15.85 120.412 -174.295 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' CYS . . . . . . . . . . . . . 25.7 p -61.65 -23.58 66.15 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 113.882 -2.961 . . . . 14.24 111.085 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 78' ' ' VAL . . . . . 0.669 ' O ' ' O ' ' C' ' 117' ' ' HOH 0.312 24.3 t -123.69 23.43 3.99 Favored 'Isoleucine or valine' 0 C--O 1.263 1.766 0 O-C-N 126.754 2.534 . . . . 17.83 114.259 -179.717 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -105.13 137.04 43.53 Favored 'General case' 0 C--O 1.243 0.711 2 CA-C-O 135.819 7.485 . . . . 16.96 121.828 174.553 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 80' ' ' TYR . . . . . 0.948 ' HB2' ' OD1' ' C' ' 58' ' ' ASP . 17.3 m-85 -104.83 125.25 34.32 Favored Pre-proline 0 C--O 1.264 1.841 3 O-C-N 114.652 -5.03 . . . . 18.36 107.106 173.558 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' PRO . . . . . 0.689 ' HG2' HG22 ' C' ' 18' ' ' VAL . 4.5 Cg_exo -67.57 158.82 55.38 Favored 'Trans proline' 0 C--O 1.251 1.125 0 N-CA-C 107.284 -1.852 . . . . 15.52 107.284 177.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 82' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 130' ' ' HOH . 9.6 m -114.75 -23.87 8.99 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 129.093 2.957 . . . . 16.43 112.763 -176.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.77 177.16 48.15 Favored Glycine 0 N--CA 1.43 -1.736 1 C-N-CA 140.457 8.646 . . . . 15.52 110.887 -178.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' ASP . . . . . 0.681 ' OD2' ' CG ' ' C' ' 4' ' ' LYS . 4.2 m-20 -64.84 154.09 38.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 119.266 -2.314 . . . . 18.02 107.414 -177.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 85' ' ' CYS . . . . . 0.596 ' HB3' ' HD3' ' C' ' 55' ' ' PRO . 1.7 p -162.4 164.55 27.19 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 111.929 -3.891 . . . . 24.16 112.373 -179.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 86' ' ' VAL . . . . . 0.633 HG23 ' HB ' ' C' ' 52' ' ' VAL 0.297 0.8 OUTLIER -117.0 137.22 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 1 O-C-N 131.455 5.472 . . . . 16.54 102.978 175.852 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' C' C ' 87' ' ' ILE . . . . . 0.94 HD13 ' CD2' ' C' ' 51' ' ' LEU . 0.0 OUTLIER -139.01 146.15 26.48 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 O-C-N 127.217 2.823 . . . . 16.73 116.165 -175.646 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 88' ' ' GLU . . . . . 0.595 ' HB3' ' HD2' ' C' ' 91' ' ' LYS 0.309 22.4 mt-10 -96.76 132.11 42.79 Favored 'General case' 0 N--CA 1.518 2.948 0 N-CA-C 105.423 -2.065 . . . . 22.5 105.423 178.885 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 89' ' ' THR . . . . . 0.527 ' OG1' ' CG2' ' C' ' 9' ' ' THR . 46.4 p -109.32 -26.07 10.23 Favored 'General case' 0 C--O 1.275 2.444 1 N-CA-C 126.443 5.72 . . . . 13.51 126.443 -172.085 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 90' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -103.35 57.88 0.75 Allowed 'General case' 0 C--N 1.286 -2.187 0 O-C-N 116.507 -3.87 . . . . 18.64 101.923 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 91' ' ' LYS . . . . . 0.838 ' HD3' ' HD2' ' C' ' 50' ' ' LYS . 0.2 OUTLIER -105.37 40.12 1.6 Allowed 'General case' 0 C--O 1.258 1.511 0 O-C-N 124.963 1.415 . . . . 15.98 113.766 -175.467 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 92' ' ' GLU . . . . . 0.887 ' O ' ' HB3' ' C' ' 93' ' ' GLU . 0.0 OUTLIER -99.97 74.87 1.83 Allowed 'General case' 0 C--O 1.26 1.613 1 CA-C-O 129.447 4.451 . . . . 15.45 111.354 177.046 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 93' ' ' GLU . . . . . 0.887 ' HB3' ' O ' ' C' ' 92' ' ' GLU . 0.9 OUTLIER 167.29 58.41 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.054 1 CA-C-O 132.267 5.794 . . . . 19.93 104.156 177.365 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 94' ' ' ALA . . . . . 0.72 ' HB3' ' OH ' ' C' ' 73' ' ' TYR . . . -155.93 -40.33 0.08 Allowed 'General case' 0 C--O 1.25 1.099 1 C-N-CA 133.386 4.674 . . . . 22.32 103.066 179.581 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 95' ' ' LEU . . . . . 0.788 HD21 ' CD2' ' C' ' 73' ' ' TYR 0.356 0.2 OUTLIER -85.08 -53.19 5.44 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 117.371 -1.732 . . . . 23.88 106.793 178.409 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 96' ' ' TYR . . . . . . . . . . . . 0.304 1.3 m-85 . . . . . 0 N--CA 1.434 -1.256 1 C-N-CA 134.442 5.097 . . . . 23.11 108.92 179.038 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ALA . . . . . 1.062 ' O ' ' HA ' ' D' ' 19' ' ' PRO . . . . . . . . 0 C--O 1.21 -0.984 1 CA-C-O 131.227 5.299 . . . . 18.56 107.077 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . 0.348 0.3 OUTLIER -122.62 80.24 1.72 Allowed 'General case' 0 C--N 1.295 -1.774 1 CA-C-O 109.756 -4.926 . . . . 24.01 112.183 -176.83 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.414 ' CE2' ' N ' ' D' ' 1' ' ' ALA . 13.9 m-85 -110.15 145.1 37.78 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 128.3 3.5 . . . . 18.59 106.407 -179.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.427 ' HB2' ' HE2' ' D' ' 4' ' ' LYS . 0.2 OUTLIER -86.3 117.18 24.94 Favored 'General case' 0 C--O 1.262 1.74 1 CA-C-N 108.121 -4.127 . . . . 15.75 109.14 177.355 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.642 HG23 HD12 ' D' ' 87' ' ' ILE 0.258 0.3 OUTLIER -129.14 131.47 67.83 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 127.582 3.051 . . . . 14.35 107.977 177.65 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' THR . . . . . 0.815 ' HB ' HG22 ' D' ' 15' ' ' VAL 0.252 0.1 OUTLIER -110.06 122.97 48.84 Favored 'General case' 0 C--O 1.251 1.172 1 O-C-N 130.541 4.9 . . . . 8.89 111.244 -176.847 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' LEU . . . . . 1.092 HD21 HG12 ' D' ' 16' ' ' ILE . 0.9 OUTLIER -91.41 101.96 14.64 Favored 'General case' 0 C--O 1.204 -1.324 0 CA-C-N 110.2 -3.182 . . . . 17.6 110.349 -175.063 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.848 ' CE ' ' HB ' ' D' ' 86' ' ' VAL . 0.1 OUTLIER -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 102.915 -2.995 . . . . 18.63 102.915 176.918 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' THR . . . . . 0.628 ' OG1' ' O ' ' D' ' 12' ' ' GLY . 7.1 p -97.59 159.38 31.19 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.078 -2.328 . . . . 17.82 108.03 177.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -57.46 -27.18 75.06 Favored 'Trans proline' 0 C--N 1.293 -2.362 0 O-C-N 127.376 3.303 . . . . 22.18 106.409 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -81.37 0.03 OUTLIER 'General case' 0 C--O 1.269 2.088 1 N-CA-C 99.816 -4.142 . . . . 19.79 99.816 175.666 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' GLY . . . . . 0.628 ' O ' ' OG1' ' D' ' 9' ' ' THR . . . -164.88 -161.99 15.0 Favored Glycine 0 C--O 1.215 -1.052 0 CA-C-O 126.55 3.305 . . . . 17.18 114.084 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -87.82 86.61 7.18 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-O 111.951 -3.88 . . . . 13.87 101.612 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.13 130.34 35.1 Favored 'General case' 0 C--N 1.294 -1.822 1 O-C-N 133.64 6.837 . . . . 20.23 105.664 177.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' VAL . . . . . 0.815 HG22 ' HB ' ' D' ' 6' ' ' THR . 12.7 t -108.8 120.25 59.85 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.348 0 CA-C-N 121.688 2.04 . . . . 17.59 107.398 178.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ILE . . . . . 1.092 HG12 HD21 ' D' ' 7' ' ' LEU 0.636 0.7 OUTLIER -117.05 155.45 18.59 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.193 0 N-CA-C 103.553 -2.758 . . . . 15.59 103.553 -178.563 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . 0.306 89.0 m -119.44 116.27 25.79 Favored 'General case' 0 N--CA 1.427 -1.579 0 C-N-CA 130.28 3.432 . . . . 14.3 102.375 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . 1.103 HG22 ' HG3' ' D' ' 81' ' ' PRO 0.363 0.2 OUTLIER -135.04 128.95 18.83 Favored Pre-proline 0 N--CA 1.443 -0.781 1 O-C-N 130.479 4.862 . . . . 19.08 107.009 -175.381 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' PRO . . . . . 1.062 ' HA ' ' O ' ' D' ' 1' ' ' ALA . 41.0 Cg_endo -72.18 149.59 52.08 Favored 'Trans proline' 0 C--O 1.271 2.153 0 CA-C-N 109.161 -2.835 . . . . 18.27 104.832 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ASP . . . . . 0.549 ' CG ' ' H1 ' ' D' ' 1' ' ' ALA . 31.1 p-10 -63.07 -20.91 65.79 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 128.332 3.52 . . . . 23.46 114.033 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.409 ' O ' ' HE2' ' D' ' 80' ' ' TYR . 17.8 p-10 -92.4 17.8 9.36 Favored 'General case' 0 N--CA 1.5 2.053 0 C-N-CA 115.072 -2.651 . . . . 18.3 107.513 178.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' GLU . . . . . 1.026 ' HG2' ' O ' ' D' ' 147' ' ' HOH . 2.2 tt0 -136.23 129.62 31.86 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 120.27 3.433 . . . . 18.84 120.27 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' TYR . . . . . 0.723 ' O ' HG23 ' D' ' 27' ' ' VAL . 17.7 m-85 -55.13 144.36 24.25 Favored 'General case' 0 C--O 1.266 1.943 0 CA-C-O 116.685 -1.626 . . . . 21.39 111.86 -176.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ILE . . . . . 0.487 HD12 ' O ' ' D' ' 79' ' ' ALA . 2.7 mp -59.14 -38.11 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.996 0 O-C-N 125.452 1.72 . . . . 11.83 112.976 178.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' LEU . . . . . 1.174 HD22 HG22 ' D' ' 76' ' ' THR . 0.4 OUTLIER -65.21 -55.53 18.02 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 119.01 -2.306 . . . . 17.31 106.611 -178.561 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ASP . . . . . 0.544 ' C ' ' O ' ' D' ' 25' ' ' LEU . 0.8 OUTLIER -39.55 -64.28 0.49 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 104.529 -2.397 . . . . 20.01 104.529 -176.826 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.723 HG23 ' O ' ' D' ' 23' ' ' TYR 0.25 1.6 t -57.87 -24.16 22.52 Favored 'Isoleucine or valine' 0 C--O 1.269 2.102 1 O-C-N 133.452 6.72 . . . . 14.99 114.355 179.707 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.639 ' N ' ' O ' ' D' ' 25' ' ' LEU . . . -59.6 -47.81 84.13 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 119.002 -2.311 . . . . 14.5 109.091 -177.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' D' ' 26' ' ' ASP . 12.8 mt-10 -67.5 -66.16 0.6 Allowed 'General case' 0 C--O 1.252 1.204 3 CA-C-O 110.859 -4.401 . . . . 17.36 113.459 -177.086 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -50.18 -43.28 52.34 Favored 'General case' 0 N--CA 1.486 1.338 1 O-C-N 134.543 7.402 . . . . 18.92 108.861 177.465 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' GLU . . . . . 0.485 ' HB3' ' O ' ' D' ' 149' ' ' HOH 0.289 63.1 mm-40 -58.37 -55.61 32.8 Favored 'General case' 0 N--CA 1.51 2.55 0 CA-C-O 113.035 -3.364 . . . . 15.37 109.328 -179.402 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.64 -16.03 0.55 Allowed Glycine 0 N--CA 1.427 -1.95 0 N-CA-C 120.551 2.98 . . . . 14.44 120.551 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' LEU . . . . . 0.474 ' H ' ' HG ' ' D' ' 33' ' ' LEU . 0.0 OUTLIER -84.97 -154.35 0.18 Allowed 'General case' 0 C--O 1.271 2.213 0 CA-C-O 125.477 2.561 . . . . 17.02 114.332 -179.784 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' ASP . . . . . 1.001 ' O ' ' HB2' ' D' ' 35' ' ' LEU 0.25 0.0 OUTLIER -130.94 -152.45 0.51 Allowed 'General case' 0 C--O 1.263 1.763 1 CA-C-O 144.057 11.408 . . . . 20.34 115.054 176.036 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' LEU . . . . . 1.158 ' HG ' HG21 ' D' ' 76' ' ' THR . 0.3 OUTLIER 153.0 135.65 0.0 OUTLIER Pre-proline 0 C--O 1.258 1.54 1 CA-C-N 97.154 -9.112 . . . . 18.05 101.914 -176.75 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' PRO . . . . . 0.891 ' CD ' HD13 ' D' ' 35' ' ' LEU . 90.3 Cg_endo -62.95 140.15 77.74 Favored 'Trans proline' 0 C--N 1.313 -1.311 2 N-CA-C 97.123 -5.76 . . . . 16.06 97.123 174.09 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' TYR . . . . . 0.812 ' CE2' ' HG2' ' D' ' 40' ' ' ARG 0.31 0.0 OUTLIER -151.29 153.75 35.43 Favored 'General case' 0 C--N 1.275 -2.634 1 CA-C-O 111.41 -4.138 . . . . 22.23 102.038 -178.158 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' SER . . . . . 0.648 ' HB3' HG21 ' D' ' 46' ' ' THR 0.293 0.1 OUTLIER -140.11 -90.23 0.18 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 127.021 2.701 . . . . 15.82 105.143 -178.691 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' CYS . . . . . . . . . . . . . 20.4 p -67.27 -12.15 59.38 Favored 'General case' 0 C--O 1.261 1.683 0 C-N-CA 126.411 1.884 . . . . 15.75 114.066 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' ARG . . . . . 0.812 ' HG2' ' CE2' ' D' ' 37' ' ' TYR . 0.0 OUTLIER 51.87 12.0 0.17 Allowed 'General case' 0 C--O 1.258 1.528 0 O-C-N 126.499 2.374 . . . . 17.39 111.17 177.052 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.95 18.2 9.31 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 118.231 -2.793 . . . . 14.29 116.393 -175.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' GLY . . . . . 0.907 ' HA3' ' OG ' ' D' ' 62' ' ' SER . . . 69.85 31.65 70.06 Favored Glycine 0 C--N 1.309 -0.919 0 O-C-N 124.448 1.093 . . . . 11.75 112.812 -179.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' ALA . . . . . 0.672 ' O ' ' HB3' ' D' ' 44' ' ' CYS . . . -115.25 27.9 9.06 Favored 'General case' 0 C--N 1.284 -2.245 0 C-N-CA 129.773 3.229 . . . . 14.35 108.679 -179.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' CYS . . . . . 0.777 ' SG ' ' OG1' ' D' ' 46' ' ' THR 0.294 1.0 OUTLIER -169.26 -177.8 2.97 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 112.203 -3.799 . . . . 14.5 113.969 175.579 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' SER . . . . . . . . . . . . . 65.3 p -91.74 -23.93 19.6 Favored 'General case' 0 C--O 1.26 1.636 0 CA-C-N 111.509 -2.587 . . . . 17.07 113.792 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' THR . . . . . 0.777 ' OG1' ' SG ' ' D' ' 44' ' ' CYS 0.254 7.2 p -38.63 -71.93 0.07 Allowed 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.808 2.568 . . . . 21.45 114.661 -177.778 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' CYS . . . . . 0.608 ' O ' ' HB ' ' D' ' 76' ' ' THR . 31.3 p -76.69 18.77 0.31 Allowed 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 120.194 3.405 . . . . 17.7 120.194 -177.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' ALA . . . . . 0.821 ' HB1' HD11 ' D' ' 95' ' ' LEU . . . -69.01 130.07 41.72 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 127.583 3.052 . . . . 15.3 113.519 -178.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' GLY . . . . . . . . . . . . . . . -127.8 166.74 20.35 Favored Glycine 0 CA--C 1.548 2.156 1 C-N-CA 133.818 5.485 . . . . 13.39 111.377 178.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' LYS . . . . . 0.601 ' HB3' ' CG ' ' D' ' 88' ' ' GLU . 0.0 OUTLIER -120.23 129.82 54.25 Favored 'General case' 0 C--O 1.259 1.576 0 CA-C-N 110.782 -2.709 . . . . 17.41 114.752 179.594 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.851 ' HG ' ' O ' ' D' ' 138' ' ' HOH . 0.1 OUTLIER -76.56 131.36 38.9 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 127.658 3.099 . . . . 15.4 106.196 175.425 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' VAL . . . . . 0.88 ' HB ' ' CG2' ' D' ' 86' ' ' VAL . 87.7 t -102.3 -74.47 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 O-C-N 129.002 3.939 . . . . 18.62 110.575 -178.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' SER . . . . . 0.571 ' O ' HD11 ' D' ' 51' ' ' LEU . 0.2 OUTLIER -128.43 160.65 31.59 Favored 'General case' 0 N--CA 1.481 1.079 1 CA-C-N 108.071 -4.15 . . . . 16.14 103.795 178.545 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.97 -156.03 18.04 Favored Glycine 0 C--O 1.25 1.095 0 N-CA-C 109.347 -1.501 . . . . 18.16 109.347 -177.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' PRO . . . . . 0.678 ' HD3' ' HB3' ' D' ' 85' ' ' CYS . 7.5 Cg_exo -96.28 -71.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.296 -2.184 1 C-N-CA 128.753 6.302 . . . . 17.34 109.843 179.972 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' ALA . . . . . 0.448 ' H ' ' HD2' ' D' ' 55' ' ' PRO . . . 146.94 113.12 0.0 OUTLIER Pre-proline 0 C--N 1.28 -2.455 2 CA-C-O 109.052 -5.261 . . . . 15.24 103.163 179.899 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 57' ' ' PRO . . . . . 0.671 ' HD3' ' CD2' ' D' ' 51' ' ' LEU . 9.5 Cg_exo -51.79 156.04 7.29 Favored 'Trans proline' 0 C--O 1.251 1.169 0 O-C-N 127.845 3.55 . . . . 16.17 113.733 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 58' ' ' ASP . . . . . 0.898 ' OD1' ' C ' ' D' ' 58' ' ' ASP . 2.0 t0 -84.21 90.82 7.58 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 125.133 2.397 . . . . 16.74 111.803 178.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -94.58 23.61 5.2 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 127.236 3.398 . . . . 16.75 112.636 -177.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 60' ' ' ASP . . . . . 0.911 ' O ' ' CG ' ' D' ' 60' ' ' ASP . 0.0 OUTLIER -75.12 77.16 2.28 Favored 'General case' 0 C--O 1.267 2.015 3 CA-C-O 109.25 -5.167 . . . . 16.04 99.428 176.794 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 61' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' D' ' 60' ' ' ASP . 0.0 OUTLIER 172.01 -84.14 0.0 OUTLIER 'General case' 0 C--O 1.263 1.799 1 O-C-N 135.325 7.891 . . . . 19.24 112.111 -175.704 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 62' ' ' SER . . . . . 0.907 ' OG ' ' HA3' ' D' ' 42' ' ' GLY 0.282 22.7 t -100.93 95.64 6.73 Favored 'General case' 0 C--O 1.269 2.08 0 C-N-CA 115.242 -2.583 . . . . 17.42 112.127 -177.653 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 63' ' ' PHE . . . . . 1.193 ' O ' ' N ' ' D' ' 65' ' ' ASP 0.433 0.1 OUTLIER -119.62 -100.86 0.43 Allowed 'General case' 0 C--N 1.371 1.533 3 O-C-N 132.701 6.251 . . . . 16.35 117.781 175.573 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' D' D ' 64' ' ' LEU . . . . . 0.65 ' C ' ' O ' ' D' ' 63' ' ' PHE 0.524 4.6 mt 28.09 14.33 0.0 OUTLIER 'General case' 0 C--O 1.279 2.609 0 O-C-N 128.964 3.915 . . . . 17.45 105.802 -172.014 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 65' ' ' ASP . . . . . 1.193 ' N ' ' O ' ' D' ' 63' ' ' PHE 0.327 27.8 t0 -103.18 130.72 50.46 Favored 'General case' 0 N--CA 1.518 2.94 1 N-CA-C 98.983 -4.451 . . . . 17.83 98.983 174.726 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' D' D ' 66' ' ' ASP . . . . . 0.629 ' N ' ' OD2' ' D' ' 66' ' ' ASP 0.622 0.7 OUTLIER -21.04 111.03 0.03 OUTLIER 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 111.755 -2.475 . . . . 17.64 114.881 -168.227 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 67' ' ' ASP . . . . . 0.638 ' OD2' ' C ' ' D' ' 67' ' ' ASP . 49.3 t0 -56.0 107.49 0.36 Allowed 'General case' 0 C--O 1.266 1.922 1 C-N-CA 131.854 4.062 . . . . 18.48 117.295 178.4 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 68' ' ' GLN . . . . . 0.982 ' NE2' ' HA ' ' D' ' 68' ' ' GLN . 1.1 tp-100 169.17 56.54 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.324 1 CA-C-O 133.268 6.27 . . . . 20.04 103.388 178.098 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 69' ' ' ILE . . . . . 0.876 HD11 ' CE2' ' D' ' 63' ' ' PHE 0.344 0.6 OUTLIER -53.81 -52.32 36.18 Favored 'Isoleucine or valine' 0 C--O 1.26 1.635 1 CA-C-N 100.996 -7.366 . . . . 26.31 101.598 177.882 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' D' D ' 70' ' ' GLN . . . . . 1.001 ' O ' ' HG3' ' D' ' 70' ' ' GLN 0.327 8.5 tt0 -52.64 -17.62 1.38 Allowed 'General case' 0 C--N 1.298 -1.66 4 O-C-N 143.957 13.286 . . . . 17.38 120.409 -178.528 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' D' D ' 71' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' D' ' 142' ' ' HOH . . . -95.45 5.92 50.32 Favored 'General case' 0 C--N 1.305 -1.327 1 N-CA-C 98.793 -4.521 . . . . 13.73 98.793 175.363 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.96 20.81 27.28 Favored Glycine 0 C--O 1.254 1.394 1 CA-C-O 112.814 -4.325 . . . . 16.3 108.557 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 73' ' ' TYR . . . . . 0.706 ' O ' ' O ' ' D' ' 69' ' ' ILE 0.502 1.2 m-85 -91.58 142.33 27.75 Favored 'General case' 0 N--CA 1.499 2.024 3 CA-C-O 134.119 6.676 . . . . 18.01 99.414 176.961 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' D' D ' 74' ' ' ILE . . . . . 0.66 HD11 ' O ' ' D' ' 151' ' ' HOH . 1.2 mp -123.88 141.31 44.55 Favored 'Isoleucine or valine' 1 C--N 1.23 -4.598 2 C-N-CA 142.072 8.149 . . . . 16.99 116.261 -179.114 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' D' D ' 75' ' ' LEU . . . . . 0.419 HD22 ' HE1' ' D' ' 63' ' ' PHE . 2.0 mp -117.26 115.51 25.43 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 104.704 -2.332 . . . . 18.78 104.704 179.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 76' ' ' THR . . . . . 1.174 HG22 HD22 ' D' ' 25' ' ' LEU 0.347 0.9 OUTLIER -67.31 -29.34 68.89 Favored 'General case' 0 CA--C 1.493 -1.232 0 O-C-N 128.483 3.614 . . . . 15.69 119.441 -175.112 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 77' ' ' CYS . . . . . 0.415 ' SG ' HG13 ' D' ' 78' ' ' VAL . 5.5 p -63.38 -39.79 95.47 Favored 'General case' 0 C--N 1.31 -1.143 2 O-C-N 115.688 -4.382 . . . . 14.96 112.95 178.55 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 78' ' ' VAL . . . . . 0.764 HG11 ' CB ' ' D' ' 62' ' ' SER 0.282 26.6 m -116.88 21.16 6.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 119.189 3.033 . . . . 17.88 119.189 -178.162 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 79' ' ' ALA . . . . . 0.487 ' O ' HD12 ' D' ' 24' ' ' ILE . . . -92.55 116.49 29.04 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 127.267 2.854 . . . . 15.64 112.426 -179.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 80' ' ' TYR . . . . . 0.574 ' CE1' ' CE1' ' D' ' 23' ' ' TYR . 76.6 m-85 -96.84 133.06 24.86 Favored Pre-proline 0 C--N 1.307 -1.255 0 N-CA-C 104.561 -2.385 . . . . 17.76 104.561 179.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 81' ' ' PRO . . . . . 1.103 ' HG3' HG22 ' D' ' 18' ' ' VAL . 19.6 Cg_endo -58.11 163.66 9.53 Favored 'Trans proline' 0 C--N 1.291 -2.455 0 N-CA-C 107.89 -1.619 . . . . 17.21 107.89 -178.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 82' ' ' THR . . . . . . . . . . . . . 47.2 m -131.68 -20.99 2.53 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 116.988 -3.57 . . . . 16.98 115.207 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.24 176.23 47.7 Favored Glycine 0 N--CA 1.484 1.868 2 CA-C-O 108.223 -6.876 . . . . 20.68 100.77 -175.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -69.59 147.7 50.37 Favored 'General case' 0 N--CA 1.491 1.624 1 O-C-N 130.74 4.435 . . . . 13.42 106.518 -173.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 85' ' ' CYS . . . . . 0.678 ' HB3' ' HD3' ' D' ' 55' ' ' PRO . 2.4 p -160.24 162.11 33.62 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 125.477 3.762 . . . . 11.25 112.202 -179.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 86' ' ' VAL . . . . . 0.88 ' CG2' ' HB ' ' D' ' 52' ' ' VAL . 0.9 OUTLIER -117.89 135.13 59.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.187 0 N-CA-C 106.055 -1.831 . . . . 9.1 106.055 176.389 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 87' ' ' ILE . . . . . 0.642 HD12 HG23 ' D' ' 5' ' ' VAL . 1.5 mt -138.53 142.64 34.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 C-N-CA 128.901 2.88 . . . . 14.53 113.87 -175.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 88' ' ' GLU . . . . . 0.653 ' CB ' ' HD2' ' D' ' 91' ' ' LYS 0.523 7.5 mm-40 -86.4 118.14 25.64 Favored 'General case' 0 C--O 1.269 2.095 1 CA-C-O 110.824 -4.417 . . . . 14.87 103.802 176.878 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' D' D ' 89' ' ' THR . . . . . 0.56 HG21 ' CG2' ' D' ' 9' ' ' THR . 1.0 OUTLIER -76.37 -44.76 34.95 Favored 'General case' 0 C--O 1.283 2.82 1 N-CA-C 122.291 4.182 . . . . 17.41 122.291 -175.159 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' D' D ' 90' ' ' HIS . . . . . 0.509 ' HD1' ' HG1' ' D' ' 89' ' ' THR . 0.0 OUTLIER -107.58 105.92 16.03 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 125.845 1.966 . . . . 18.15 110.653 -174.908 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 91' ' ' LYS . . . . . 0.653 ' HD2' ' CB ' ' D' ' 88' ' ' GLU . 0.0 OUTLIER -145.53 47.06 1.29 Allowed 'General case' 0 C--O 1.25 1.082 0 O-C-N 119.104 -2.247 . . . . 15.44 112.147 -176.016 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 92' ' ' GLU . . . . . 0.98 ' OE1' HG22 ' A' ' 17' ' ' THR . 6.6 tt0 -101.99 66.77 1.04 Allowed 'General case' 0 C--O 1.247 0.952 0 N-CA-C 100.234 -3.987 . . . . 16.84 100.234 173.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.22 49.78 0.0 OUTLIER 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 100.634 -3.839 . . . . 15.63 100.634 -176.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.46 -41.72 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.368 2 O-C-N 130.765 5.041 . . . . 15.15 104.003 179.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 95' ' ' LEU . . . . . 0.821 HD11 ' HB1' ' D' ' 48' ' ' ALA . 5.6 mt -90.69 -44.16 9.67 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 128.308 3.505 . . . . 16.09 113.164 176.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 96' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.292 3.339 1 CA-C-O 106.811 -6.328 . . . . 20.57 119.83 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' FES . . . . . 0.794 ' S2 ' ' HA2' ' A' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' FES . . . . . 1.088 ' S2 ' ' HA2' ' B' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 97' ' ' FES . . . . . 1.481 ' S2 ' ' HA2' ' C' ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 97' ' ' FES . . . . . 0.668 ' S2 ' ' N ' ' D' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . 0.723 ' O ' ' OE2' ' A' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . 0.409 ' O ' ' HG2' ' A' ' 29' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . 1.117 ' O ' ' HG ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . 0.514 ' O ' ' O ' ' A' ' 38' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . 0.623 ' O ' HD13 ' A' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . 0.654 ' O ' ' HD2' ' A' ' 55' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . 0.655 ' O ' HG23 ' C' ' 82' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . 0.886 ' O ' ' O ' ' B' ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . 0.789 ' O ' ' HB3' ' B' ' 21' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . 0.648 ' O ' ' O ' ' B' ' 57' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . 0.718 ' O ' ' HB1' ' B' ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . 1.032 ' O ' ' HG2' ' B' ' 29' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . 0.58 ' O ' ' O ' ' B' ' 34' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . 0.589 ' O ' HG22 ' B' ' 46' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . 0.746 ' O ' ' HB ' ' B' ' 9' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' HOH . . . . . 0.594 ' O ' ' NE ' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' HOH . . . . . 0.599 ' O ' ' HD2' ' B' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' HOH . . . . . 0.744 ' O ' ' CD2' ' B' ' 23' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . 0.479 ' O ' ' HD3' ' C' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' HOH . . . . . 0.491 ' O ' ' O ' ' C' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' HOH . . . . . 0.669 ' O ' ' O ' ' C' ' 78' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 126' ' ' HOH . . . . . 0.479 ' O ' ' HB2' ' C' ' 20' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 127' ' ' HOH . . . . . 0.552 ' O ' ' HG3' ' C' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 130' ' ' HOH . . . . . 0.721 ' O ' ' OE1' ' C' ' 61' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 131' ' ' HOH . . . . . 1.027 ' O ' ' HB3' ' C' ' 53' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 143' ' ' HOH . . . . . 1.063 ' O ' ' HB2' ' C' ' 30' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 147' ' ' HOH . . . . . 0.529 ' O ' ' HE1' ' C' ' 37' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 138' ' ' HOH . . . . . 0.851 ' O ' ' HG ' ' D' ' 51' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 141' ' ' HOH . . . . . 0.626 ' O ' ' HB2' ' D' ' 67' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 142' ' ' HOH . . . . . 0.434 ' O ' ' HA ' ' D' ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 147' ' ' HOH . . . . . 1.026 ' O ' ' HG2' ' D' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 148' ' ' HOH . . . . . 1.0 ' O ' ' CG ' ' D' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 149' ' ' HOH . . . . . 0.485 ' O ' ' HB3' ' D' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 151' ' ' HOH . . . . . 0.66 ' O ' HD11 ' D' ' 74' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_