data_1nxb_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 1nxb _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' ' ' ARG . . . . . 1.385 ' NH1' ' O ' ' A' ' 22' ' ' SER 1.431 0.2 OUTLIER . . . . . 0 C--O 1.186 -2.269 2 CA-C-O 132.121 5.724 . . . . 16.74 126.284 . . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . 0.453 8.0 mt -109.48 122.07 63.5 Favored 'Isoleucine or valine' 0 C--N 1.401 2.826 2 CA-C-N 100.09 -7.777 . . . . 14.9 119.363 -175.908 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.359 2.8 m -109.27 159.57 16.84 Favored 'General case' 1 C--O 1.308 4.182 2 O-C-N 133.997 7.061 . . . . 12.83 117.889 168.388 -35.423 -96.096 -82.414 96.27 1.949 101.784 -64.994 -53.988 4 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . 1.231 ' CD1' ' O ' ' A' ' 130' ' ' HOH . 74.2 m-85 -49.78 145.67 5.11 Favored 'General case' 2 C--O 1.338 5.712 1 CA-C-N 129.809 5.731 . . . . 12.41 111.563 145.358 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.344 29.5 p-10 -135.18 21.72 3.46 Favored 'General case' 0 N--CA 1.526 3.356 1 O-C-N 131.345 5.403 . . . . 14.11 112.829 169.357 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . 1.206 ' CB ' ' O ' ' A' ' 72' ' ' HOH 0.488 0.0 OUTLIER -95.98 144.15 26.53 Favored 'General case' 0 CA--C 1.628 3.965 0 O-C-N 118.941 -2.349 . . . . 14.67 105.761 -171.803 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HIS . . . . . 0.684 ' C ' ' N ' ' A' ' 9' ' ' SER 1.328 0.0 OUTLIER -68.18 130.51 43.15 Favored 'General case' 0 N--CA 1.396 -3.147 3 C-N-CA 147.984 10.514 . . . . 27.63 105.908 173.397 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . 1.07 ' O ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 23.96 48.19 0.01 OUTLIER 'General case' 2 C--O 1.311 4.301 3 O-C-N 138.996 10.185 . . . . 23.98 110.723 162.166 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . 1.07 ' C ' ' O ' ' A' ' 8' ' ' SER 0.584 0.0 OUTLIER 26.0 81.86 0.01 OUTLIER 'General case' 0 C--O 1.284 2.886 3 CA-C-N 99.186 -8.188 . . . . 28.49 102.533 170.046 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . 1.237 ' CD ' ' O ' ' A' ' 76' ' ' HOH 0.693 1.3 pt20 -32.88 176.88 0.0 OUTLIER Pre-proline 0 C--O 1.301 3.797 2 O-C-N 110.523 -7.611 . . . . 28.54 130.203 88.458 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . 0.69 ' CD ' ' CB ' ' A' ' 10' ' ' GLN . 98.7 Cg_exo -55.11 143.88 72.11 Favored 'Trans proline' 4 N--CA 1.331 -8.045 1 CA-C-O 110.073 -4.219 . . . . 16.75 107.215 176.77 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . 0.557 ' C ' ' CG2' ' A' ' 13' ' ' THR . 76.3 mt-30 -72.83 123.49 23.48 Favored 'General case' 1 C--N 1.228 -4.711 2 O-C-N 140.094 10.871 . . . . 17.42 99.568 -164.078 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . 0.972 ' C ' ' O ' ' A' ' 80' ' ' HOH 0.628 0.3 OUTLIER -110.98 159.7 17.49 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 127.666 3.104 . . . . 17.42 109.216 159.617 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . 1.254 ' O ' ' O ' ' A' ' 81' ' ' HOH 0.362 1.1 m -133.82 162.52 31.78 Favored 'General case' 0 CA--C 1.586 2.339 2 O-C-N 109.49 -8.256 . . . . 17.4 100.228 172.287 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 1.173 ' NZ ' ' S ' ' A' ' 64' ' ' SO4 0.672 1.9 tttp -134.11 121.95 22.2 Favored 'General case' 0 C--N 1.302 -1.473 1 C-N-CA 134.777 5.231 . . . . 24.96 105.989 -171.396 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . 1.381 ' C ' ' CA ' ' A' ' 17' ' ' CYS . 16.1 m -57.04 125.6 23.39 Favored 'General case' 0 CA--C 1.464 -2.361 2 CA-C-N 128.191 4.996 . . . . 18.9 120.181 146.944 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . 1.381 ' CA ' ' C ' ' A' ' 16' ' ' THR . 66.7 m -89.6 176.44 6.87 Favored 'General case' 2 C--N 0.831 -21.972 1 O-C-N 136.148 8.405 . . . . 14.66 106.104 -166.485 -72.523 -63.808 -84.26 116.343 1.597 128.284 -74.907 -82.482 4 3 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.7 p -81.03 147.43 61.41 Favored Pre-proline 0 C--O 1.249 1.029 0 CA-C-N 115.551 -0.75 . . . . 14.0 109.214 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . 0.934 ' O ' ' O ' ' A' ' 91' ' ' HOH . 56.1 Cg_endo -57.42 134.59 64.58 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 O-C-N 123.782 1.412 . . . . 14.0 110.143 179.826 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.94 -49.46 0.87 Allowed Glycine 1 C--N 1.229 -5.403 0 O-C-N 116.957 -3.589 . . . . 14.0 109.522 -179.425 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 114.68 2.46 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.464 -0.569 . . . . 14.0 109.464 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . 1.385 ' O ' ' NH1' ' A' ' 1' ' ' ARG . 9.0 p -106.49 -18.01 14.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.464 -0.789 . . . . 14.0 110.474 179.475 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . 1.376 ' N ' ' C ' ' A' ' 22' ' ' SER 0.299 3.1 m -76.8 165.81 24.2 Favored 'General case' 1 C--N 1.771 18.908 2 N-CA-C 133.714 8.412 . . . . 19.7 133.714 157.074 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.6 m -136.7 158.0 45.46 Favored 'General case' 2 C--N 1.51 7.56 1 CA-C-O 101.865 -8.683 . . . . 13.97 119.131 165.084 -53.988 -64.994 -82.414 101.784 1.949 96.27 -96.096 -35.423 3 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . 0.757 ' N ' ' O ' ' A' ' 113' ' ' HOH 0.505 49.0 p90 -131.89 143.47 50.18 Favored 'General case' 1 C--O 1.142 -4.579 1 CA-C-N 131.652 6.569 . . . . 14.32 110.638 -161.401 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 1.206 ' O ' ' O ' ' A' ' 100' ' ' HOH . 2.3 t60 -125.53 118.81 26.55 Favored 'General case' 1 N--CA 1.564 5.271 1 N-CA-C 99.886 -4.116 . . . . 13.84 99.886 173.947 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . 1.159 ' NZ ' ' OE1' ' A' ' 38' ' ' GLU 0.299 0.0 OUTLIER -113.87 147.62 38.13 Favored 'General case' 1 N--CA 1.568 5.428 0 CA-C-O 111.818 -3.944 . . . . 17.29 109.995 172.131 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . 0.468 0.6 OUTLIER -140.27 131.62 26.75 Favored 'General case' 1 N--CA 1.577 5.878 3 O-C-N 137.467 9.23 . . . . 21.33 96.052 -178.511 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TRP . . . . . 1.066 ' CH2' ' O ' ' A' ' 101' ' ' HOH 0.29 5.1 p90 -142.45 -155.77 0.62 Allowed 'General case' 0 CA--C 1.598 2.817 1 O-C-N 130.738 5.024 . . . . 17.32 105.083 164.912 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . 0.412 ' CA ' ' O ' ' A' ' 34' ' ' GLY . 10.9 p -178.73 167.13 1.73 Allowed 'General case' 0 C--N 1.274 -2.688 0 O-C-N 117.795 -3.066 . . . . 25.65 105.714 -176.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.328 7.1 p-10 173.26 -175.78 0.06 Allowed 'General case' 1 C--N 1.205 -5.696 1 CA-C-O 109.072 -5.252 . . . . 24.74 103.504 -154.025 . . . . . . . . 4 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 32' ' ' PHE 1.029 19.5 p90 -45.84 -27.57 0.89 Allowed 'General case' 0 C--O 1.276 2.486 1 O-C-N 136.351 8.532 . . . . 25.53 107.097 -169.418 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -118.51 -37.33 3.33 Favored 'General case' 1 N--CA 1.552 4.662 5 O-C-N 103.52 -11.988 . . . . 23.43 92.806 -144.795 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . 0.412 ' O ' ' CA ' ' A' ' 30' ' ' SER . . . 162.94 -137.69 4.94 Favored Glycine 1 N--CA 1.55 6.268 1 CA-C-N 127.348 4.613 . . . . 15.11 108.063 171.991 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . 0.859 ' CB ' ' O ' ' A' ' 110' ' ' HOH 0.469 1.6 m -114.07 155.0 26.76 Favored 'General case' 0 N--CA 1.496 1.836 4 N-CA-C 93.765 -6.383 . . . . 17.07 93.765 -170.027 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . 0.537 ' CG2' ' N ' ' A' ' 37' ' ' ILE 0.43 25.4 mm -138.16 152.17 25.66 Favored 'Isoleucine or valine' 1 N--CA 1.579 6.013 1 CA-C-O 111.628 -4.034 . . . . 16.63 110.453 177.038 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . 1.055 ' CD1' ' CG ' ' A' ' 26' ' ' HIS 0.635 0.3 OUTLIER -130.39 129.09 64.63 Favored 'Isoleucine or valine' 0 C--O 1.299 3.709 2 O-C-N 137.636 9.335 . . . . 17.63 102.821 176.559 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . 1.159 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS 0.434 9.9 tt0 -113.32 152.24 30.15 Favored 'General case' 1 N--CA 1.547 4.399 2 N-CA-C 97.145 -5.132 . . . . 23.15 97.145 175.456 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . 0.55 ' NH2' ' O ' ' A' ' 111' ' ' HOH 0.352 10.4 mpt_? -124.62 134.86 52.78 Favored 'General case' 2 C--O 1.11 -6.274 3 CA-C-O 134.664 6.935 . . . . 19.57 110.383 174.019 . . . . . . . . 5 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 98' ' ' HOH . . . -162.21 -171.57 28.51 Favored Glycine 2 C--O 1.322 5.613 3 O-C-N 102.82 -12.425 . . . . 12.34 118.174 176.28 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . 0.999 ' SG ' ' O ' ' A' ' 88' ' ' HOH 0.375 13.4 m -91.78 138.4 31.59 Favored 'General case' 0 C--N 1.246 -3.915 3 O-C-N 99.924 -13.692 . . . . 14.28 100.24 179.822 -82.482 -74.907 -84.26 128.284 1.597 116.343 -63.808 -72.523 4 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . 1.206 ' O ' ' CB ' ' A' ' 43' ' ' CYS . . . 144.98 161.04 8.83 Favored Glycine 2 C--O 1.386 9.612 4 CA-C-O 159.271 21.484 . . . . 16.75 150.691 -153.462 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . 1.206 ' CB ' ' O ' ' A' ' 42' ' ' GLY 0.487 52.2 t -171.25 89.06 0.46 Allowed Pre-proline 1 C--O 1.33 5.303 3 O-C-N 99.608 -13.877 . . . . 16.35 117.52 134.131 179.992 90.102 84.533 97.021 1.97 114.577 176.95 -50.854 5 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 43' ' ' CYS 1.205 0.0 OUTLIER -6.01 144.93 0.0 OUTLIER 'Trans proline' 2 CA--C 1.413 -5.555 2 C-N-CA 127.499 5.466 . . . . 17.55 116.617 150.555 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . 0.735 ' O ' ' O ' ' A' ' 125' ' ' HOH 0.727 1.7 m -81.78 115.07 20.83 Favored 'General case' 0 N--CA 1.53 3.546 4 O-C-N 105.503 -10.748 . . . . 24.55 104.416 162.848 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . 0.938 ' CG1' ' O ' ' A' ' 122' ' ' HOH 0.828 0.4 OUTLIER -125.1 -26.19 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.62 4 CA-C-N 140.875 10.762 . . . . 27.11 107.659 -114.44 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . 0.859 ' N ' ' CG1' ' A' ' 46' ' ' VAL 1.023 0.0 OUTLIER 135.59 123.3 0.0 OUTLIER Pre-proline 0 C--O 1.201 -1.453 3 CA-C-O 95.218 -11.849 . . . . 20.83 123.696 116.308 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . 0.406 ' N ' ' CD ' ' A' ' 47' ' ' LYS 0.56 0.0 OUTLIER -3.96 94.57 0.0 OUTLIER 'Trans proline' 1 CA--C 1.403 -6.033 3 CA-C-N 149.138 11.442 . . . . 23.97 122.427 -175.189 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.21 3.5 21.17 Favored Glycine 1 N--CA 1.568 7.474 3 CA-C-O 134.078 7.488 . . . . 18.67 109.186 173.309 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . 1.329 ' CG1' ' N ' ' A' ' 51' ' ' LYS 0.613 1.4 pt -38.98 -75.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.381 -3.89 2 CA-C-N 101.636 -7.282 . . . . 26.84 129.958 -144.749 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . 1.329 ' N ' ' CG1' ' A' ' 50' ' ' ILE 2.1 0.0 OUTLIER 63.77 66.28 0.68 Allowed 'General case' 2 C--O 1.124 -5.507 4 O-C-N 142.016 12.072 . . . . 21.94 130.115 -166.115 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . 1.257 ' CD2' ' O ' ' A' ' 100' ' ' HOH 1.6 0.0 OUTLIER -135.22 144.67 47.05 Favored 'General case' 0 C--N 1.377 1.8 1 CA-C-O 129.208 4.337 . . . . 18.83 117.991 -167.014 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . 1.201 ' C ' ' O ' ' A' ' 108' ' ' HOH 0.35 26.5 t -145.3 134.04 22.28 Favored 'General case' 0 C--N 1.399 2.724 1 CA-C-N 107.662 -4.335 . . . . 18.15 117.687 174.316 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.1 m -118.1 128.56 54.86 Favored 'General case' 1 C--O 1.316 4.593 2 O-C-N 142.783 12.552 . . . . 16.77 117.536 -176.916 -50.854 176.95 84.533 114.577 1.97 97.021 90.102 179.992 3 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.455 6.4 p -125.29 145.15 50.14 Favored 'General case' 1 C--N 1.24 -4.193 5 O-C-N 100.654 -13.779 . . . . 12.18 91.099 178.807 48.59 82.464 86.62 96.618 2.135 97.824 89.311 89.296 4 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . 1.08 ' CG ' ' O ' ' A' ' 22' ' ' SER 1.715 0.0 OUTLIER -46.71 63.06 0.0 OUTLIER 'General case' 1 C--O 1.314 4.456 3 O-C-N 100.558 -13.839 . . . . 29.23 148.163 106.388 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 5.8 p -168.96 173.48 6.93 Favored 'General case' 0 C--N 1.272 -2.785 0 CA-C-O 112.575 -3.583 . . . . 18.14 110.496 159.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . 1.141 ' OE1' ' NH2' ' A' ' 1' ' ' ARG 0.29 23.4 mm-40 -50.21 119.37 3.61 Favored 'General case' 0 C--O 1.283 2.843 4 CA-C-O 97.208 -10.901 . . . . 19.95 116.879 -176.449 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . 1.241 ' CA ' ' O ' ' A' ' 69' ' ' HOH . . . 67.08 0.78 0.01 OUTLIER 'Isoleucine or valine' 1 C--O 1.333 5.488 2 CA-C-N 141.027 10.83 . . . . 18.49 104.865 172.555 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 57' ' ' SER 1.071 0.8 OUTLIER -16.28 -49.18 0.0 OUTLIER 'General case' 1 C--O 1.327 5.177 4 O-C-N 108.892 -8.63 . . . . 12.24 119.727 159.858 89.296 89.311 86.62 97.824 2.135 96.618 82.464 48.59 6 4 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . 0.26 3.5 p-10 -101.76 4.8 40.87 Favored 'General case' 0 C--O 1.212 -0.91 4 O-C-N 102.735 -12.478 . . . . 19.72 110.605 -154.647 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . 0.565 35.1 m120 . . . . . 0 CA--C 1.596 2.747 2 O-C-N 143.131 12.769 . . . . 24.47 122.117 123.152 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SO4 . . . . . 0.407 ' O2 ' ' CA ' ' A' ' 58' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SO4 . . . . . 1.173 ' S ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . 1.241 ' O ' ' CA ' ' A' ' 59' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . 1.206 ' O ' ' CB ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . 0.473 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . 1.237 ' O ' ' CD ' ' A' ' 10' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . 0.972 ' O ' ' C ' ' A' ' 13' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . 1.254 ' O ' ' O ' ' A' ' 14' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . 0.769 ' O ' ' S ' ' A' ' 64' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . 0.471 ' O ' ' CA ' ' A' ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . 0.803 ' O ' ' O ' ' A' ' 16' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . 0.999 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . 0.451 ' O ' ' CD ' ' A' ' 19' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . 0.934 ' O ' ' O ' ' A' ' 19' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . 0.563 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . 0.672 ' O ' ' O ' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . 1.257 ' O ' ' CD2' ' A' ' 52' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 1.066 ' O ' ' CH2' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . 0.994 ' O ' ' O ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . 0.953 ' O ' ' C ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 1.201 ' O ' ' C ' ' A' ' 53' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . 0.859 ' O ' ' CB ' ' A' ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . 0.55 ' O ' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . 0.757 ' O ' ' N ' ' A' ' 25' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . 0.884 ' O ' ' O ' ' A' ' 43' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . 0.938 ' O ' ' CG1' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . 0.735 ' O ' ' CG1' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . 0.723 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . 0.739 ' O ' ' CA ' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 1.231 ' O ' ' CD1' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . 1.385 ' NH1' ' O ' ' A' ' 22' ' ' SER 1.431 0.2 OUTLIER . . . . . 0 C--O 1.186 -2.269 2 CA-C-O 132.121 5.724 . . . . 16.739999999999998 126.284 . . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 0.452 HG21 HD13 ' A' ' 2' ' ' ILE 0.453 8.0 mt -109.48 122.07 63.5 Favored 'Isoleucine or valine' 0 C--N 1.401 2.826 2 CA-C-N 100.09 -7.777 . . . . 14.9 119.363 -175.908 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.359 2.8 m -109.27 159.57 16.84 Favored 'General case' 1 C--O 1.308 4.182 2 O-C-N 133.997 7.061 . . . . 12.83 117.889 168.388 -35.423 -96.096 -82.414 96.27 1.949 101.784 -64.994 -53.988 4 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . 1.231 ' CD1' ' O ' ' A' ' 130' ' ' HOH . 74.2 m-85 -49.78 145.67 5.11 Favored 'General case' 2 C--O 1.338 5.712 1 CA-C-N 129.809 5.731 . . . . 12.41 111.563 145.358 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.344 29.5 p-10 -135.18 21.72 3.46 Favored 'General case' 0 N--CA 1.526 3.356 1 O-C-N 131.345 5.403 . . . . 14.109999999999999 112.829 169.357 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . 1.206 ' CB ' ' O ' ' A' ' 72' ' ' HOH 0.488 0.0 OUTLIER -95.98 144.15 26.53 Favored 'General case' 0 CA--C 1.628 3.965 0 O-C-N 118.941 -2.349 . . . . 14.67 105.761 -171.803 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HIS . . . . . 0.684 ' C ' ' N ' ' A' ' 9' ' ' SER 1.328 0.0 OUTLIER -68.18 130.51 43.15 Favored 'General case' 0 N--CA 1.396 -3.147 3 C-N-CA 147.984 10.514 . . . . 27.629999999999999 105.908 173.397 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . 1.07 ' O ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 23.96 48.19 0.01 OUTLIER 'General case' 2 C--O 1.311 4.301 3 O-C-N 138.996 10.185 . . . . 23.98 110.723 162.166 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . 1.07 ' C ' ' O ' ' A' ' 8' ' ' SER 0.584 0.0 OUTLIER 26.0 81.86 0.01 OUTLIER 'General case' 0 C--O 1.284 2.886 3 CA-C-N 99.186 -8.188 . . . . 28.489999999999998 102.533 170.046 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . 1.237 ' CD ' ' O ' ' A' ' 76' ' ' HOH 0.693 8.0 pt20 -32.88 176.88 0.0 OUTLIER Pre-proline 0 C--O 1.301 3.797 2 O-C-N 110.523 -7.611 . . . . 28.539999999999999 130.203 88.458 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . 1.094 ' CD ' ' HB2' ' A' ' 10' ' ' GLN . 98.7 Cg_exo -55.11 143.88 72.11 Favored 'Trans proline' 4 N--CA 1.331 -8.045 1 CA-C-O 110.073 -4.219 . . . . 16.75 107.215 176.77 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . 0.724 ' C ' HG22 ' A' ' 13' ' ' THR . 76.3 mt-30 -72.83 123.49 23.48 Favored 'General case' 1 C--N 1.228 -4.711 2 O-C-N 140.094 10.871 . . . . 17.420000000000002 99.568 -164.078 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . 0.972 ' C ' ' O ' ' A' ' 80' ' ' HOH 0.628 0.3 OUTLIER -110.98 159.7 17.49 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 127.666 3.104 . . . . 17.420000000000002 109.216 159.617 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . 1.254 ' O ' ' O ' ' A' ' 81' ' ' HOH 0.362 1.1 m -133.82 162.52 31.78 Favored 'General case' 0 CA--C 1.586 2.339 2 O-C-N 109.49 -8.256 . . . . 17.399999999999999 100.228 172.287 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 1.173 ' NZ ' ' S ' ' A' ' 64' ' ' SO4 0.672 1.9 tttp -134.11 121.95 22.2 Favored 'General case' 0 C--N 1.302 -1.473 1 C-N-CA 134.777 5.231 . . . . 24.960000000000001 105.989 -171.396 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . 1.381 ' C ' ' CA ' ' A' ' 17' ' ' CYS . 16.1 m -57.04 125.6 23.39 Favored 'General case' 0 CA--C 1.464 -2.361 2 CA-C-N 128.191 4.996 . . . . 18.899999999999999 120.181 146.944 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . 1.381 ' CA ' ' C ' ' A' ' 16' ' ' THR . 66.7 m -89.6 176.44 6.87 Favored 'General case' 2 C--N 0.831 -21.972 1 O-C-N 136.148 8.405 . . . . 14.66 106.104 -166.485 -72.523 -63.808 -84.26 116.343 1.597 128.284 -74.907 -82.482 4 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.7 p -81.03 147.43 61.41 Favored Pre-proline 0 C--O 1.249 1.029 0 CA-C-N 115.551 -0.75 . . . . 14.0 109.214 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . 0.934 ' O ' ' O ' ' A' ' 91' ' ' HOH . 56.1 Cg_endo -57.42 134.59 64.58 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 O-C-N 123.782 1.412 . . . . 14.0 110.143 179.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.94 -49.46 0.87 Allowed Glycine 1 C--N 1.229 -5.403 0 O-C-N 116.957 -3.589 . . . . 14.0 109.522 -179.425 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 114.68 2.46 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.464 -0.569 . . . . 14.0 109.464 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . 1.385 ' O ' ' NH1' ' A' ' 1' ' ' ARG . 9.0 p -106.49 -18.01 14.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.464 -0.789 . . . . 14.0 110.474 179.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . 1.376 ' N ' ' C ' ' A' ' 22' ' ' SER 0.299 3.1 m -76.8 165.81 24.2 Favored 'General case' 1 C--N 1.771 18.908 2 N-CA-C 133.714 8.412 . . . . 19.699999999999999 133.714 157.074 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.6 m -136.7 158.0 45.46 Favored 'General case' 2 C--N 1.51 7.56 1 CA-C-O 101.865 -8.683 . . . . 13.970000000000001 119.131 165.084 -53.988 -64.994 -82.414 101.784 1.949 96.27 -96.096 -35.423 3 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . 1.093 ' HB2' HD21 ' A' ' 52' ' ' LEU 0.505 49.0 p90 -131.89 143.47 50.18 Favored 'General case' 1 C--O 1.142 -4.579 1 CA-C-N 131.652 6.569 . . . . 14.32 110.638 -161.401 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 1.501 ' CD2' HD13 ' A' ' 37' ' ' ILE . 2.3 t60 -125.53 118.81 26.55 Favored 'General case' 1 N--CA 1.564 5.271 1 N-CA-C 99.886 -4.116 . . . . 13.84 99.886 173.947 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 1.159 ' NZ ' ' OE1' ' A' ' 38' ' ' GLU 0.299 0.0 OUTLIER -113.87 147.62 38.13 Favored 'General case' 1 N--CA 1.568 5.428 0 CA-C-O 111.818 -3.944 . . . . 17.289999999999999 109.995 172.131 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 36' ' ' ILE 0.468 0.6 OUTLIER -140.27 131.62 26.75 Favored 'General case' 1 N--CA 1.577 5.878 3 O-C-N 137.467 9.23 . . . . 21.329999999999998 96.052 -178.511 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TRP . . . . . 1.066 ' CH2' ' O ' ' A' ' 101' ' ' HOH 0.29 5.1 p90 -142.45 -155.77 0.62 Allowed 'General case' 0 CA--C 1.598 2.817 1 O-C-N 130.738 5.024 . . . . 17.32 105.083 164.912 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 10.9 p -178.73 167.13 1.73 Allowed 'General case' 0 C--N 1.274 -2.688 0 O-C-N 117.795 -3.066 . . . . 25.649999999999999 105.714 -176.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . 0.714 ' OD1' ' HD3' ' A' ' 33' ' ' ARG 0.328 7.1 p-10 173.26 -175.78 0.06 Allowed 'General case' 1 C--N 1.205 -5.696 1 CA-C-O 109.072 -5.252 . . . . 24.739999999999998 103.504 -154.025 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . 1.029 19.5 p90 -45.84 -27.57 0.89 Allowed 'General case' 0 C--O 1.276 2.486 1 O-C-N 136.351 8.532 . . . . 25.530000000000001 107.097 -169.418 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . 0.714 ' HD3' ' OD1' ' A' ' 31' ' ' ASP . 9.4 mtp180 -118.51 -37.33 3.33 Favored 'General case' 1 N--CA 1.552 4.662 5 O-C-N 103.52 -11.988 . . . . 23.43 92.806 -144.795 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' SER . . . 162.94 -137.69 4.94 Favored Glycine 1 N--CA 1.55 6.268 1 CA-C-N 127.348 4.613 . . . . 15.109999999999999 108.063 171.991 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . 1.226 ' HB ' ' O ' ' A' ' 110' ' ' HOH 0.469 1.6 m -114.07 155.0 26.76 Favored 'General case' 0 N--CA 1.496 1.836 4 N-CA-C 93.765 -6.383 . . . . 17.07 93.765 -170.027 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . 0.753 HG22 ' N ' ' A' ' 37' ' ' ILE 0.43 25.4 mm -138.16 152.17 25.66 Favored 'Isoleucine or valine' 1 N--CA 1.579 6.013 1 CA-C-O 111.628 -4.034 . . . . 16.629999999999999 110.453 177.038 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . 1.501 HD13 ' CD2' ' A' ' 26' ' ' HIS 0.635 0.3 OUTLIER -130.39 129.09 64.63 Favored 'Isoleucine or valine' 0 C--O 1.299 3.709 2 O-C-N 137.636 9.335 . . . . 17.629999999999999 102.821 176.559 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . 1.159 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS 0.434 9.9 tt0 -113.32 152.24 30.15 Favored 'General case' 1 N--CA 1.547 4.399 2 N-CA-C 97.145 -5.132 . . . . 23.149999999999999 97.145 175.456 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . 0.565 HH22 ' H ' ' A' ' 9' ' ' SER 0.352 10.4 mpt_? -124.62 134.86 52.78 Favored 'General case' 2 C--O 1.11 -6.274 3 CA-C-O 134.664 6.935 . . . . 19.57 110.383 174.019 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 85' ' ' HOH . . . -162.21 -171.57 28.51 Favored Glycine 2 C--O 1.322 5.613 3 O-C-N 102.82 -12.425 . . . . 12.34 118.174 176.28 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . 0.999 ' SG ' ' O ' ' A' ' 88' ' ' HOH 0.375 13.4 m -91.78 138.4 31.59 Favored 'General case' 0 C--N 1.246 -3.915 3 O-C-N 99.924 -13.692 . . . . 14.279999999999999 100.24 179.822 -82.482 -74.907 -84.26 128.284 1.597 116.343 -63.808 -72.523 4 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . 1.206 ' O ' ' CB ' ' A' ' 43' ' ' CYS . . . 144.98 161.04 8.83 Favored Glycine 2 C--O 1.386 9.612 4 CA-C-O 159.271 21.484 . . . . 16.75 150.691 -153.462 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . 1.206 ' CB ' ' O ' ' A' ' 42' ' ' GLY 0.487 52.2 t -171.25 89.06 0.46 Allowed Pre-proline 1 C--O 1.33 5.303 3 O-C-N 99.608 -13.877 . . . . 16.350000000000001 117.52 134.131 179.992 90.102 84.533 97.021 1.97 114.577 176.95 -50.854 5 3 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 43' ' ' CYS 1.205 0.0 OUTLIER -6.01 144.93 0.0 OUTLIER 'Trans proline' 2 CA--C 1.413 -5.555 2 C-N-CA 127.499 5.466 . . . . 17.550000000000001 116.617 150.555 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . 0.735 ' O ' ' O ' ' A' ' 125' ' ' HOH 0.727 1.7 m -81.78 115.07 20.83 Favored 'General case' 0 N--CA 1.53 3.546 4 O-C-N 105.503 -10.748 . . . . 24.550000000000001 104.416 162.848 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . 1.008 HG12 ' H ' ' A' ' 47' ' ' LYS 0.828 0.4 OUTLIER -125.1 -26.19 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.62 4 CA-C-N 140.875 10.762 . . . . 27.109999999999999 107.659 -114.44 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . 1.008 ' H ' HG12 ' A' ' 46' ' ' VAL 1.023 0.0 OUTLIER 135.59 123.3 0.0 OUTLIER Pre-proline 0 C--O 1.201 -1.453 3 CA-C-O 95.218 -11.849 . . . . 20.829999999999998 123.696 116.308 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . 0.766 ' N ' ' HD3' ' A' ' 47' ' ' LYS 0.56 0.0 OUTLIER -3.96 94.57 0.0 OUTLIER 'Trans proline' 1 CA--C 1.403 -6.033 3 CA-C-N 149.138 11.442 . . . . 23.969999999999999 122.427 -175.189 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.21 3.5 21.17 Favored Glycine 1 N--CA 1.568 7.474 3 CA-C-O 134.078 7.488 . . . . 18.670000000000002 109.186 173.309 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . 1.503 HD12 ' CA ' ' A' ' 51' ' ' LYS 0.613 1.4 pt -38.98 -75.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.381 -3.89 2 CA-C-N 101.636 -7.282 . . . . 26.84 129.958 -144.749 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . 1.503 ' CA ' HD12 ' A' ' 50' ' ' ILE 2.1 0.0 OUTLIER 63.77 66.28 0.68 Allowed 'General case' 2 C--O 1.124 -5.507 4 O-C-N 142.016 12.072 . . . . 21.940000000000001 130.115 -166.115 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . 1.285 ' HB2' ' O ' ' A' ' 100' ' ' HOH 1.6 0.0 OUTLIER -135.22 144.67 47.05 Favored 'General case' 0 C--N 1.377 1.8 1 CA-C-O 129.208 4.337 . . . . 18.829999999999998 117.991 -167.014 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . 1.201 ' C ' ' O ' ' A' ' 108' ' ' HOH 0.35 26.5 t -145.3 134.04 22.28 Favored 'General case' 0 C--N 1.399 2.724 1 CA-C-N 107.662 -4.335 . . . . 18.149999999999999 117.687 174.316 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.1 m -118.1 128.56 54.86 Favored 'General case' 1 C--O 1.316 4.593 2 O-C-N 142.783 12.552 . . . . 16.77 117.536 -176.916 -50.854 176.95 84.533 114.577 1.97 97.021 90.102 179.992 3 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.455 6.4 p -125.29 145.15 50.14 Favored 'General case' 1 C--N 1.24 -4.193 5 O-C-N 100.654 -13.779 . . . . 12.18 91.099 178.807 48.59 82.464 86.62 96.618 2.135 97.824 89.311 89.296 4 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . 1.08 ' CG ' ' O ' ' A' ' 22' ' ' SER 1.715 0.0 OUTLIER -46.71 63.06 0.0 OUTLIER 'General case' 1 C--O 1.314 4.456 3 O-C-N 100.558 -13.839 . . . . 29.23 148.163 106.388 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 5.8 p -168.96 173.48 6.93 Favored 'General case' 0 C--N 1.272 -2.785 0 CA-C-O 112.575 -3.583 . . . . 18.140000000000001 110.496 159.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . 1.141 ' OE1' ' NH2' ' A' ' 1' ' ' ARG 0.29 23.4 mm-40 -50.21 119.37 3.61 Favored 'General case' 0 C--O 1.283 2.843 4 CA-C-O 97.208 -10.901 . . . . 19.949999999999999 116.879 -176.449 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . 1.241 ' CA ' ' O ' ' A' ' 69' ' ' HOH . . . 67.08 0.78 0.01 OUTLIER 'Isoleucine or valine' 1 C--O 1.333 5.488 2 CA-C-N 141.027 10.83 . . . . 18.489999999999998 104.865 172.555 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 57' ' ' SER 1.071 0.8 OUTLIER -16.28 -49.18 0.0 OUTLIER 'General case' 1 C--O 1.327 5.177 4 O-C-N 108.892 -8.63 . . . . 12.24 119.727 159.858 89.296 89.311 86.62 97.824 2.135 96.618 82.464 48.59 6 4 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . 0.26 3.5 p-10 -101.76 4.8 40.87 Favored 'General case' 0 C--O 1.212 -0.91 4 O-C-N 102.735 -12.478 . . . . 19.719999999999999 110.605 -154.647 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . 0.565 35.1 m120 . . . . . 0 CA--C 1.596 2.747 2 O-C-N 143.131 12.769 . . . . 24.469999999999999 122.117 123.152 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SO4 . . . . . 0.548 ' O2 ' ' HA ' ' A' ' 58' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SO4 . . . . . 1.173 ' S ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . 1.241 ' O ' ' CA ' ' A' ' 59' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . 1.206 ' O ' ' CB ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . 0.473 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . 1.237 ' O ' ' CD ' ' A' ' 10' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . 0.972 ' O ' ' C ' ' A' ' 13' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . 1.254 ' O ' ' O ' ' A' ' 14' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . 0.769 ' O ' ' S ' ' A' ' 64' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . 0.55 ' O ' ' HA3' ' A' ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . 0.803 ' O ' ' O ' ' A' ' 16' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . 0.999 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . 0.791 ' O ' ' HD2' ' A' ' 19' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . 0.934 ' O ' ' O ' ' A' ' 19' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . 0.563 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . 0.672 ' O ' ' O ' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . 1.285 ' O ' ' HB2' ' A' ' 52' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 1.066 ' O ' ' CH2' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . 0.994 ' O ' ' O ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . 0.953 ' O ' ' C ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . 1.201 ' O ' ' C ' ' A' ' 53' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . 1.226 ' O ' ' HB ' ' A' ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . 0.422 ' O ' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . 0.538 ' O ' ' HA3' ' A' ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . 0.757 ' O ' ' N ' ' A' ' 25' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . 0.884 ' O ' ' O ' ' A' ' 43' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.938 ' O ' ' CG1' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . 0.92 ' O ' HG13 ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . 0.723 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . 0.86 ' O ' ' HA ' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 1.231 ' O ' ' CD1' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . 1.385 ' NH1' ' O ' ' A' ' 22' ' ' SER 1.431 0.2 OUTLIER . . . . . 0 C--O 1.186 -2.269 2 CA-C-O 132.121 5.724 . . . . 16.739999999999998 126.284 . . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.452 HG21 HD13 ' A' ' 2' ' ' ILE 0.453 8.0 mt -109.48 122.07 63.5 Favored 'Isoleucine or valine' 0 C--N 1.401 2.826 2 CA-C-N 100.09 -7.777 . . . . 14.9 119.363 -175.908 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.359 2.8 m -109.27 159.57 16.84 Favored 'General case' 1 C--O 1.308 4.182 2 O-C-N 133.997 7.061 . . . . 12.83 117.889 168.388 -35.423 -96.096 -82.414 96.27 1.949 101.784 -64.994 -53.988 4 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.231 ' CD1' ' O ' ' A' ' 130' ' ' HOH . 74.2 m-85 -49.78 145.67 5.11 Favored 'General case' 2 C--O 1.338 5.712 1 CA-C-N 129.809 5.731 . . . . 12.41 111.563 145.358 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . 0.344 29.5 p-10 -135.18 21.72 3.46 Favored 'General case' 0 N--CA 1.526 3.356 1 O-C-N 131.345 5.403 . . . . 14.109999999999999 112.829 169.357 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . 1.206 ' CB ' ' O ' ' A' ' 72' ' ' HOH 0.488 0.0 OUTLIER -95.98 144.15 26.53 Favored 'General case' 0 CA--C 1.628 3.965 0 O-C-N 118.941 -2.349 . . . . 14.67 105.761 -171.803 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.684 ' C ' ' N ' ' A' ' 9' ' ' SER 1.328 0.0 OUTLIER -68.18 130.51 43.15 Favored 'General case' 0 N--CA 1.396 -3.147 3 C-N-CA 147.984 10.514 . . . . 27.629999999999999 105.908 173.397 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . 1.07 ' O ' ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 23.96 48.19 0.01 OUTLIER 'General case' 2 C--O 1.311 4.301 3 O-C-N 138.996 10.185 . . . . 23.98 110.723 162.166 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . 1.07 ' C ' ' O ' ' A' ' 8' ' ' SER 0.584 0.0 OUTLIER 26.0 81.86 0.01 OUTLIER 'General case' 0 C--O 1.284 2.886 3 CA-C-N 99.186 -8.188 . . . . 28.489999999999998 102.533 170.046 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . 1.237 ' CD ' ' O ' ' A' ' 76' ' ' HOH 0.693 1.3 pt20 -32.88 176.88 0.0 OUTLIER Pre-proline 0 C--O 1.301 3.797 2 O-C-N 110.523 -7.611 . . . . 28.539999999999999 130.203 88.458 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . 1.094 ' CD ' ' HB2' ' A' ' 10' ' ' GLN . 98.7 Cg_exo -55.11 143.88 72.11 Favored 'Trans proline' 4 N--CA 1.331 -8.045 1 CA-C-O 110.073 -4.219 . . . . 16.75 107.215 176.77 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.724 ' C ' HG22 ' A' ' 13' ' ' THR . 76.3 mt-30 -72.83 123.49 23.48 Favored 'General case' 1 C--N 1.228 -4.711 2 O-C-N 140.094 10.871 . . . . 17.420000000000002 99.568 -164.078 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . 0.972 ' C ' ' O ' ' A' ' 80' ' ' HOH 0.628 0.3 OUTLIER -110.98 159.7 17.49 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 127.666 3.104 . . . . 17.420000000000002 109.216 159.617 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . 1.254 ' O ' ' O ' ' A' ' 81' ' ' HOH 0.362 1.1 m -133.82 162.52 31.78 Favored 'General case' 0 CA--C 1.586 2.339 2 O-C-N 109.49 -8.256 . . . . 17.399999999999999 100.228 172.287 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 1.173 ' NZ ' ' S ' ' A' ' 64' ' ' SO4 0.672 1.9 tttp -134.11 121.95 22.2 Favored 'General case' 0 C--N 1.302 -1.473 1 C-N-CA 134.777 5.231 . . . . 24.960000000000001 105.989 -171.396 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . 1.381 ' C ' ' CA ' ' A' ' 17' ' ' CYS . 16.1 m -57.04 125.6 23.39 Favored 'General case' 0 CA--C 1.464 -2.361 2 CA-C-N 128.191 4.996 . . . . 18.899999999999999 120.181 146.944 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.381 ' CA ' ' C ' ' A' ' 16' ' ' THR . 66.7 m -89.6 176.44 6.87 Favored 'General case' 2 C--N 0.831 -21.972 1 O-C-N 136.148 8.405 . . . . 14.66 106.104 -166.485 -72.523 -63.808 -84.26 116.343 1.597 128.284 -74.907 -82.482 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.7 p -81.03 147.43 61.41 Favored Pre-proline 0 C--O 1.249 1.029 0 CA-C-N 115.551 -0.75 . . . . 14.0 109.214 -179.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.934 ' O ' ' O ' ' A' ' 91' ' ' HOH . 56.1 Cg_endo -57.42 134.59 64.58 Favored 'Trans proline' 0 C--N 1.322 -0.826 0 O-C-N 123.782 1.412 . . . . 14.0 110.143 179.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.94 -49.46 0.87 Allowed Glycine 1 C--N 1.229 -5.403 0 O-C-N 116.957 -3.589 . . . . 14.0 109.522 -179.425 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.03 114.68 2.46 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.464 -0.569 . . . . 14.0 109.464 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . 1.385 ' O ' ' NH1' ' A' ' 1' ' ' ARG . 9.0 p -106.49 -18.01 14.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.464 -0.789 . . . . 14.0 110.474 179.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . 1.376 ' N ' ' C ' ' A' ' 22' ' ' SER 0.299 3.1 m -76.8 165.81 24.2 Favored 'General case' 1 C--N 1.771 18.908 2 N-CA-C 133.714 8.412 . . . . 19.699999999999999 133.714 157.074 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.6 m -136.7 158.0 45.46 Favored 'General case' 2 C--N 1.51 7.56 1 CA-C-O 101.865 -8.683 . . . . 13.970000000000001 119.131 165.084 -53.988 -64.994 -82.414 101.784 1.949 96.27 -96.096 -35.423 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . 1.093 ' HB2' HD21 ' A' ' 52' ' ' LEU 0.505 49.0 p90 -131.89 143.47 50.18 Favored 'General case' 1 C--O 1.142 -4.579 1 CA-C-N 131.652 6.569 . . . . 14.32 110.638 -161.401 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 1.501 ' CD2' HD13 ' A' ' 37' ' ' ILE . 2.3 t60 -125.53 118.81 26.55 Favored 'General case' 1 N--CA 1.564 5.271 1 N-CA-C 99.886 -4.116 . . . . 13.84 99.886 173.947 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 1.159 ' NZ ' ' OE1' ' A' ' 38' ' ' GLU 0.299 0.0 OUTLIER -113.87 147.62 38.13 Favored 'General case' 1 N--CA 1.568 5.428 0 CA-C-O 111.818 -3.944 . . . . 17.289999999999999 109.995 172.131 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' ' 36' ' ' ILE 0.468 0.6 OUTLIER -140.27 131.62 26.75 Favored 'General case' 1 N--CA 1.577 5.878 3 O-C-N 137.467 9.23 . . . . 21.329999999999998 96.052 -178.511 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TRP . . . . . 1.066 ' CH2' ' O ' ' A' ' 101' ' ' HOH 0.29 5.1 p90 -142.45 -155.77 0.62 Allowed 'General case' 0 CA--C 1.598 2.817 1 O-C-N 130.738 5.024 . . . . 17.32 105.083 164.912 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 35' ' ' THR . 10.9 p -178.73 167.13 1.73 Allowed 'General case' 0 C--N 1.274 -2.688 0 O-C-N 117.795 -3.066 . . . . 25.649999999999999 105.714 -176.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.714 ' OD1' ' HD3' ' A' ' 33' ' ' ARG 0.328 7.1 p-10 173.26 -175.78 0.06 Allowed 'General case' 1 C--N 1.205 -5.696 1 CA-C-O 109.072 -5.252 . . . . 24.739999999999998 103.504 -154.025 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . 1.029 19.5 p90 -45.84 -27.57 0.89 Allowed 'General case' 0 C--O 1.276 2.486 1 O-C-N 136.351 8.532 . . . . 25.530000000000001 107.097 -169.418 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.714 ' HD3' ' OD1' ' A' ' 31' ' ' ASP . 9.4 mtp180 -118.51 -37.33 3.33 Favored 'General case' 1 N--CA 1.552 4.662 5 O-C-N 103.52 -11.988 . . . . 23.43 92.806 -144.795 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' SER . . . 162.94 -137.69 4.94 Favored Glycine 1 N--CA 1.55 6.268 1 CA-C-N 127.348 4.613 . . . . 15.109999999999999 108.063 171.991 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . 1.226 ' HB ' ' O ' ' A' ' 110' ' ' HOH 0.469 1.6 m -114.07 155.0 26.76 Favored 'General case' 0 N--CA 1.496 1.836 4 N-CA-C 93.765 -6.383 . . . . 17.07 93.765 -170.027 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.753 HG22 ' N ' ' A' ' 37' ' ' ILE 0.43 25.4 mm -138.16 152.17 25.66 Favored 'Isoleucine or valine' 1 N--CA 1.579 6.013 1 CA-C-O 111.628 -4.034 . . . . 16.629999999999999 110.453 177.038 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . 1.501 HD13 ' CD2' ' A' ' 26' ' ' HIS 0.635 0.3 OUTLIER -130.39 129.09 64.63 Favored 'Isoleucine or valine' 0 C--O 1.299 3.709 2 O-C-N 137.636 9.335 . . . . 17.629999999999999 102.821 176.559 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . 1.159 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS 0.434 9.9 tt0 -113.32 152.24 30.15 Favored 'General case' 1 N--CA 1.547 4.399 2 N-CA-C 97.145 -5.132 . . . . 23.149999999999999 97.145 175.456 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.565 HH22 ' H ' ' A' ' 9' ' ' SER 0.352 10.4 mpt_? -124.62 134.86 52.78 Favored 'General case' 2 C--O 1.11 -6.274 3 CA-C-O 134.664 6.935 . . . . 19.57 110.383 174.019 . . . . . . . . 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 85' ' ' HOH . . . -162.21 -171.57 28.51 Favored Glycine 2 C--O 1.322 5.613 3 O-C-N 102.82 -12.425 . . . . 12.34 118.174 176.28 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.999 ' SG ' ' O ' ' A' ' 88' ' ' HOH 0.375 13.4 m -91.78 138.4 31.59 Favored 'General case' 0 C--N 1.246 -3.915 3 O-C-N 99.924 -13.692 . . . . 14.279999999999999 100.24 179.822 -82.482 -74.907 -84.26 128.284 1.597 116.343 -63.808 -72.523 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . 1.206 ' O ' ' CB ' ' A' ' 43' ' ' CYS . . . 144.98 161.04 8.83 Favored Glycine 2 C--O 1.386 9.612 4 CA-C-O 159.271 21.484 . . . . 16.75 150.691 -153.462 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . 1.206 ' CB ' ' O ' ' A' ' 42' ' ' GLY 0.487 52.2 t -171.25 89.06 0.46 Allowed Pre-proline 1 C--O 1.33 5.303 3 O-C-N 99.608 -13.877 . . . . 16.350000000000001 117.52 134.131 179.992 90.102 84.533 97.021 1.97 114.577 176.95 -50.854 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.59 ' O ' ' O ' ' A' ' 43' ' ' CYS 1.205 0.0 OUTLIER -6.01 144.93 0.0 OUTLIER 'Trans proline' 2 CA--C 1.413 -5.555 2 C-N-CA 127.499 5.466 . . . . 17.550000000000001 116.617 150.555 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . 0.735 ' O ' ' O ' ' A' ' 125' ' ' HOH 0.727 1.7 m -81.78 115.07 20.83 Favored 'General case' 0 N--CA 1.53 3.546 4 O-C-N 105.503 -10.748 . . . . 24.550000000000001 104.416 162.848 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.008 HG12 ' H ' ' A' ' 47' ' ' LYS 0.828 0.4 OUTLIER -125.1 -26.19 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.531 3.62 4 CA-C-N 140.875 10.762 . . . . 27.109999999999999 107.659 -114.44 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . 1.008 ' H ' HG12 ' A' ' 46' ' ' VAL 1.023 0.0 OUTLIER 135.59 123.3 0.0 OUTLIER Pre-proline 0 C--O 1.201 -1.453 3 CA-C-O 95.218 -11.849 . . . . 20.829999999999998 123.696 116.308 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.766 ' N ' ' HD3' ' A' ' 47' ' ' LYS 0.56 0.0 OUTLIER -3.96 94.57 0.0 OUTLIER 'Trans proline' 1 CA--C 1.403 -6.033 3 CA-C-N 149.138 11.442 . . . . 23.969999999999999 122.427 -175.189 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.21 3.5 21.17 Favored Glycine 1 N--CA 1.568 7.474 3 CA-C-O 134.078 7.488 . . . . 18.670000000000002 109.186 173.309 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . 1.503 HD12 ' CA ' ' A' ' 51' ' ' LYS 0.613 1.4 pt -38.98 -75.64 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.381 -3.89 2 CA-C-N 101.636 -7.282 . . . . 26.84 129.958 -144.749 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.503 ' CA ' HD12 ' A' ' 50' ' ' ILE 2.1 0.0 OUTLIER 63.77 66.28 0.68 Allowed 'General case' 2 C--O 1.124 -5.507 4 O-C-N 142.016 12.072 . . . . 21.940000000000001 130.115 -166.115 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.285 ' HB2' ' O ' ' A' ' 100' ' ' HOH 1.6 0.0 OUTLIER -135.22 144.67 47.05 Favored 'General case' 0 C--N 1.377 1.8 1 CA-C-O 129.208 4.337 . . . . 18.829999999999998 117.991 -167.014 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . 1.201 ' C ' ' O ' ' A' ' 108' ' ' HOH 0.35 26.5 t -145.3 134.04 22.28 Favored 'General case' 0 C--N 1.399 2.724 1 CA-C-N 107.662 -4.335 . . . . 18.149999999999999 117.687 174.316 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 34.1 m -118.1 128.56 54.86 Favored 'General case' 1 C--O 1.316 4.593 2 O-C-N 142.783 12.552 . . . . 16.77 117.536 -176.916 -50.854 176.95 84.533 114.577 1.97 97.021 90.102 179.992 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . 0.455 6.4 p -125.29 145.15 50.14 Favored 'General case' 1 C--N 1.24 -4.193 5 O-C-N 100.654 -13.779 . . . . 12.18 91.099 178.807 48.59 82.464 86.62 96.618 2.135 97.824 89.311 89.296 4 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . 1.08 ' CG ' ' O ' ' A' ' 22' ' ' SER 1.715 0.0 OUTLIER -46.71 63.06 0.0 OUTLIER 'General case' 1 C--O 1.314 4.456 3 O-C-N 100.558 -13.839 . . . . 29.23 148.163 106.388 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 5.8 p -168.96 173.48 6.93 Favored 'General case' 0 C--N 1.272 -2.785 0 CA-C-O 112.575 -3.583 . . . . 18.140000000000001 110.496 159.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . 1.141 ' OE1' ' NH2' ' A' ' 1' ' ' ARG 0.29 23.4 mm-40 -50.21 119.37 3.61 Favored 'General case' 0 C--O 1.283 2.843 4 CA-C-O 97.208 -10.901 . . . . 19.949999999999999 116.879 -176.449 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . 1.241 ' CA ' ' O ' ' A' ' 69' ' ' HOH . . . 67.08 0.78 0.01 OUTLIER 'Isoleucine or valine' 1 C--O 1.333 5.488 2 CA-C-N 141.027 10.83 . . . . 18.489999999999998 104.865 172.555 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' ' 57' ' ' SER 1.071 0.8 OUTLIER -16.28 -49.18 0.0 OUTLIER 'General case' 1 C--O 1.327 5.177 4 O-C-N 108.892 -8.63 . . . . 12.24 119.727 159.858 89.296 89.311 86.62 97.824 2.135 96.618 82.464 48.59 6 4 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . 0.26 3.5 p-10 -101.76 4.8 40.87 Favored 'General case' 0 C--O 1.212 -0.91 4 O-C-N 102.735 -12.478 . . . . 19.719999999999999 110.605 -154.647 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . 0.565 35.1 m120 . . . . . 0 CA--C 1.596 2.747 2 O-C-N 143.131 12.769 . . . . 24.469999999999999 122.117 123.152 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SO4 . . . . . 0.548 ' O2 ' ' HA ' ' A' ' 58' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SO4 . . . . . 1.173 ' S ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . 1.241 ' O ' ' CA ' ' A' ' 59' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . 1.206 ' O ' ' CB ' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . 0.473 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . 1.237 ' O ' ' CD ' ' A' ' 10' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . 0.972 ' O ' ' C ' ' A' ' 13' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . 1.254 ' O ' ' O ' ' A' ' 14' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . 0.769 ' O ' ' S ' ' A' ' 64' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . 0.55 ' O ' ' HA3' ' A' ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . 0.803 ' O ' ' O ' ' A' ' 16' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . 0.999 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . 0.791 ' O ' ' HD2' ' A' ' 19' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . 0.934 ' O ' ' O ' ' A' ' 19' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . 0.563 ' O ' ' O ' ' A' ' 25' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . 0.672 ' O ' ' O ' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . 1.285 ' O ' ' HB2' ' A' ' 52' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 1.066 ' O ' ' CH2' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.428 ' O ' ' N ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . 0.994 ' O ' ' O ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . 0.953 ' O ' ' C ' ' A' ' 29' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . 1.201 ' O ' ' C ' ' A' ' 53' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . 1.226 ' O ' ' HB ' ' A' ' 35' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . 0.422 ' O ' ' NH2' ' A' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . 0.538 ' O ' ' HA3' ' A' ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . 0.757 ' O ' ' N ' ' A' ' 25' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . 0.884 ' O ' ' O ' ' A' ' 43' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.938 ' O ' ' CG1' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . 0.92 ' O ' HG13 ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . 0.723 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . 0.86 ' O ' ' HA ' ' A' ' 46' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 1.231 ' O ' ' CD1' ' A' ' 4' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_