data_1eis_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 1eis _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' ' ' PCA . . . . . . . . . . . . . . . . . . . . 2 N--CA 1.614 7.742 0 CA-C-O 117.14 -1.41 . . . . 35.96 113.136 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -76.03 157.6 32.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 119.163 -1.015 . . . . 37.86 110.18 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -163.5 166.47 22.59 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.426 0.454 . . . . 22.69 109.85 -177.539 56.641 88.293 95.268 103.96 2.012 102.927 69.25 -173.934 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.15 -160.28 53.39 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 123.731 0.681 . . . . 26.72 114.681 168.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -63.12 -33.86 76.37 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 114.409 -0.895 . . . . 34.98 112.445 -173.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -86.43 -16.71 36.32 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 120.608 -1.307 . . . . 48.13 111.777 -177.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.77 21.36 11.37 Favored Glycine 0 C--N 1.367 2.263 0 O-C-N 120.723 -1.236 . . . . 28.02 115.114 -172.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.94 -14.46 34.24 Favored Glycine 0 C--N 1.349 1.291 0 C-N-CA 118.24 -1.933 . . . . 26.35 114.708 171.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.64 2.47 55.34 Favored Glycine 0 C--O 1.248 0.973 0 O-C-N 120.554 -1.556 . . . . 34.51 114.752 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . 0.809 ' OG ' ' O ' ' A' ' 97' ' ' HOH 0.431 60.0 p . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 119.748 1.774 . . . . 43.06 112.701 -179.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 CA-C-O 122.271 0.928 . . . . 33.01 112.701 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.1 m -91.98 150.37 21.03 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 106.8 -1.556 . . . . 42.79 106.8 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.05 141.69 81.75 Favored Pre-proline 0 N--CA 1.465 0.292 0 C-N-CA 118.536 -1.265 . . . . 24.4 110.213 -178.124 -69.734 -75.215 -93.062 102.751 2.029 102.759 -71.707 -68.022 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -62.9 137.8 64.78 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 O-C-N 124.366 1.719 . . . . 31.06 107.97 171.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.83 89.13 Favored Glycine 0 N--CA 1.467 0.724 0 C-N-CA 119.015 -1.564 . . . . 26.58 111.391 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.72 33.1 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.784 0.792 . . . . 40.52 110.672 175.521 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -77.01 168.85 19.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.936 0.874 . . . . 43.06 111.339 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.1 m -75.52 143.5 42.47 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.799 -0.563 . . . . 20.72 110.294 -176.307 -58.29 147.997 99.718 99.895 2.03 103.247 -61.488 -67.777 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -106.52 123.23 47.78 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 127.054 2.721 . . . . 20.81 106.824 174.224 -173.934 69.25 95.268 102.927 2.012 103.96 88.293 56.641 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 p -75.02 169.75 17.39 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.361 -1.335 . . . . 22.21 109.876 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 pt -68.34 -11.64 14.69 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 118.998 -1.081 . . . . 33.58 111.882 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -94.01 3.17 55.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 120.31 1.414 . . . . 36.4 112.248 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.27 37.2 25.19 Favored Glycine 0 CA--C 1.487 -1.674 0 C-N-CA 119.7 -1.238 . . . . 22.47 114.756 173.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -128.61 153.84 46.84 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 120.949 -1.324 . . . . 36.95 109.128 172.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.4 m -95.99 144.4 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.89 1.369 . . . . 23.19 110.994 -175.813 -68.022 -71.707 -93.062 102.759 2.029 102.751 -75.215 -69.734 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.47 41.8 Favored Glycine 0 N--CA 1.498 2.776 0 C-N-CA 117.123 -2.465 . . . . 23.93 108.915 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.78 9.39 5.41 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.921 1.452 . . . . 47.56 114.921 -175.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.2 p -106.87 176.26 5.23 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 123.031 1.396 . . . . 32.36 111.721 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -49.21 -47.06 76.85 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 116.875 2.176 . . . . 50.84 116.875 -174.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.22 -26.17 75.25 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.37 1.38 . . . . 30.75 112.756 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -95.12 -33.12 12.78 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.275 0.843 . . . . 28.07 113.275 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -111.39 -12.07 14.07 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 115.226 1.565 . . . . 25.37 115.226 -169.573 -67.777 -61.488 99.718 103.247 2.03 99.895 147.997 -58.29 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -127.96 5.41 Favored Glycine 0 CA--C 1.494 -1.269 0 CA-C-O 124.085 1.936 . . . . 29.69 114.127 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -63.95 -28.68 69.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 119.187 -2.36 . . . . 59.74 112.797 -175.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -103.12 33.02 3.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.816 0.697 . . . . 33.24 110.259 -176.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.2 143.16 28.26 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 114.25 -1.341 . . . . 27.31 110.65 177.996 178.717 -102.613 -88.451 102.38 2.01 103.973 -57.582 -56.927 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.54 -42.71 5.85 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 120.569 -1.332 . . . . 35.47 112.106 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -149.52 161.68 41.66 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 117.382 -1.727 . . . . 40.01 110.815 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 105' ' ' HOH . 75.5 mmtt 52.01 49.72 20.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.77 -1.104 . . . . 30.06 110.343 -173.233 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -94.2 164.27 13.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 113.953 1.094 . . . . 25.37 113.953 -173.189 -56.927 -57.582 -88.451 103.973 2.01 102.38 -102.613 178.717 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -58.32 -35.88 72.54 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 124.68 1.237 . . . . 30.3 110.32 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.2 p -72.8 -4.2 30.09 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 113.693 0.997 . . . . 31.34 113.693 -177.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.86 66.74 Favored Glycine 0 CA--C 1.543 1.82 0 O-C-N 120.63 -1.294 . . . . 27.19 113.543 -174.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -59.51 138.58 57.64 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 116.087 -2.245 . . . . 27.05 108.698 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -63.9 149.66 46.66 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.138 0.97 . . . . 39.14 109.954 176.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.0 p -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.381 -1.771 . . . . 30.49 111.726 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -94.25 3.22 55.53 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.568 -1.253 . . . . 36.74 111.006 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 66.67 13.04 9.17 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 116.288 -1.815 . . . . 32.82 115.321 175.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -74.2 155.45 38.33 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.49 1.95 . . . . 54.36 110.026 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.3 p -150.97 -178.89 6.86 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.67 1.856 . . . . 29.75 108.024 175.934 62.189 104.907 98.034 104.758 2.038 102.548 62.091 -178.758 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.99 175.82 36.44 Favored Glycine 0 N--CA 1.482 1.755 0 N-CA-C 109.681 -1.368 . . . . 31.99 109.681 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -35.88 74.61 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 115.486 1.661 . . . . 44.0 115.486 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.83 61.07 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 119.043 0.838 . . . . 47.43 112.31 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.73 26.9 3.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.22 0.822 . . . . 43.6 113.22 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.04 26.54 57.9 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 116.074 1.189 . . . . 40.08 116.074 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 46.4 61.05 13.69 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 118.677 1.239 . . . . 43.09 112.552 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.99 160.59 42.76 Favored 'Trans proline' 0 C--N 1.32 -0.921 0 C-N-CA 122.037 1.825 . . . . 26.52 109.786 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -75.85 168.96 23.19 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 121.512 1.475 . . . . 25.14 111.95 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.1 m -113.3 160.19 18.6 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.093 -1.077 . . . . 26.14 108.093 167.371 -63.263 -61.979 -79.535 105.654 2.017 106.065 -70.801 -68.371 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.2 -173.05 14.68 Favored Glycine 0 C--O 1.219 -0.803 0 CA-C-O 125.463 2.702 . . . . 26.42 114.412 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.1 133.54 56.12 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 120.412 -1.64 . . . . 43.35 111.995 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 56.96 21.37 6.16 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 113.774 1.027 . . . . 50.61 113.774 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -114.18 152.72 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.588 -0.523 . . . . 32.36 109.588 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.52 159.71 36.31 Favored 'General case' 0 C--O 1.261 1.671 0 O-C-N 124.758 1.286 . . . . 28.27 108.88 -174.949 -51.322 114.311 99.819 103.182 2.041 102.284 -71.058 -65.28 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.8 t -94.06 114.85 27.09 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.372 -0.973 . . . . 25.83 108.372 179.067 -178.758 62.091 98.034 102.548 2.038 104.758 104.907 62.189 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.1 p -79.66 167.05 21.2 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 115.412 -2.515 . . . . 30.24 108.48 -175.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.06 -13.47 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.633 -0.712 . . . . 33.88 112.907 177.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -85.87 -11.55 52.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.58 0.956 . . . . 40.36 113.58 176.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.37 30.1 6.76 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.034 -1.041 . . . . 29.23 113.183 171.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -132.41 145.66 51.38 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 124.597 0.822 . . . . 38.57 110.77 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.4 m -80.99 144.06 32.1 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 118.427 -0.797 . . . . 29.28 109.895 172.6 -68.371 -70.801 -79.535 106.065 2.017 105.654 -61.979 -63.263 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.44 173.1 45.63 Favored Glycine 0 C--O 1.254 1.348 0 N-CA-C 110.514 -1.034 . . . . 34.29 110.514 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.38 165.75 12.81 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 110.16 -1.176 . . . . 42.75 110.16 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -170.67 51.49 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-O 122.594 1.108 . . . . 50.64 113.144 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 117.605 2.446 . . . . 62.63 117.605 -175.195 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -61.64 -16.21 46.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.715 -0.846 . . . . 51.73 108.715 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -116.76 -35.08 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.796 1.036 . . . . 36.88 113.796 -174.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.8 m -109.81 -23.93 11.13 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.638 2.458 . . . . 37.54 117.638 -167.03 -65.28 -71.058 99.819 102.284 2.041 103.182 114.311 -51.322 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.86 145.03 24.69 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 123.021 1.391 . . . . 55.27 112.702 -173.071 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -26.41 130.12 0.04 OUTLIER Glycine 0 N--CA 1.417 -2.625 0 C-N-CA 125.958 1.742 . . . . 46.65 117.32 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.39 -33.7 4.64 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 116.641 1.416 . . . . 41.35 116.641 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -97.54 -10.66 24.85 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.495 1.148 . . . . 43.76 111.945 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -108.46 135.67 49.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 125.396 1.685 . . . . 29.59 111.691 -172.893 -175.725 -112.025 -92.551 102.941 2.026 103.902 -62.675 -53.272 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -103.48 -30.19 10.69 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.326 -1.35 . . . . 32.75 112.14 176.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -155.17 158.65 39.26 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.12 -1.432 . . . . 24.18 110.519 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 56.75 53.59 8.14 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 123.256 1.503 . . . . 26.81 110.821 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.253 1.257 0 N-CA-C 115.16 1.541 . . . . 40.71 115.16 -169.442 -53.272 -62.675 -92.551 103.902 2.026 102.941 -112.025 -175.725 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.809 ' O ' ' OG ' ' A' ' 10' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . 0.42 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 2 N--CA 1.614 7.742 0 CA-C-O 117.14 -1.41 . . . . 35.96 113.136 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -76.03 157.6 32.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 119.163 -1.015 . . . . 37.86 110.18 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -163.5 166.47 22.59 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.426 0.454 . . . . 22.69 109.85 -177.539 56.641 88.293 95.268 103.96 2.012 102.927 69.25 -173.934 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.15 -160.28 53.39 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 123.731 0.681 . . . . 26.72 114.681 168.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -63.12 -33.86 76.37 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 114.409 -0.895 . . . . 34.98 112.445 -173.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -86.43 -16.71 36.32 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 120.608 -1.307 . . . . 48.13 111.777 -177.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.77 21.36 11.37 Favored Glycine 0 C--N 1.367 2.263 0 O-C-N 120.723 -1.236 . . . . 28.02 115.114 -172.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.94 -14.46 34.24 Favored Glycine 0 C--N 1.349 1.291 0 C-N-CA 118.24 -1.933 . . . . 26.35 114.708 171.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.64 2.47 55.34 Favored Glycine 0 C--O 1.248 0.973 0 O-C-N 120.554 -1.556 . . . . 34.51 114.752 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 97' ' ' HOH 0.431 60.0 p . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 119.748 1.774 . . . . 43.06 112.701 -179.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 CA-C-O 122.271 0.928 . . . . 33.01 112.701 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.1 m -91.98 150.37 21.03 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 106.8 -1.556 . . . . 42.79 106.8 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.05 141.69 81.75 Favored Pre-proline 0 N--CA 1.465 0.292 0 C-N-CA 118.536 -1.265 . . . . 24.4 110.213 -178.124 -69.734 -75.215 -93.062 102.751 2.029 102.759 -71.707 -68.022 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -62.9 137.8 64.78 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 O-C-N 124.366 1.719 . . . . 31.06 107.97 171.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.83 89.13 Favored Glycine 0 N--CA 1.467 0.724 0 C-N-CA 119.015 -1.564 . . . . 26.58 111.391 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.72 33.1 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.784 0.792 . . . . 40.52 110.672 175.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -77.01 168.85 19.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.936 0.874 . . . . 43.06 111.339 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.1 m -75.52 143.5 42.47 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.799 -0.563 . . . . 20.72 110.294 -176.307 -58.29 147.997 99.718 99.895 2.03 103.247 -61.488 -67.777 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -106.52 123.23 47.78 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 127.054 2.721 . . . . 20.81 106.824 174.224 -173.934 69.25 95.268 102.927 2.012 103.96 88.293 56.641 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 p -75.02 169.75 17.39 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.361 -1.335 . . . . 22.21 109.876 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 pt -68.34 -11.64 14.69 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 118.998 -1.081 . . . . 33.58 111.882 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -94.01 3.17 55.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 120.31 1.414 . . . . 36.4 112.248 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.27 37.2 25.19 Favored Glycine 0 CA--C 1.487 -1.674 0 C-N-CA 119.7 -1.238 . . . . 22.47 114.756 173.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -128.61 153.84 46.84 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 120.949 -1.324 . . . . 36.95 109.128 172.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.4 m -95.99 144.4 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.89 1.369 . . . . 23.19 110.994 -175.813 -68.022 -71.707 -93.062 102.759 2.029 102.751 -75.215 -69.734 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.47 41.8 Favored Glycine 0 N--CA 1.498 2.776 0 C-N-CA 117.123 -2.465 . . . . 23.93 108.915 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.78 9.39 5.41 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.921 1.452 . . . . 47.56 114.921 -175.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.2 p -106.87 176.26 5.23 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 123.031 1.396 . . . . 32.36 111.721 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -49.21 -47.06 76.85 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 116.875 2.176 . . . . 50.84 116.875 -174.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.22 -26.17 75.25 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.37 1.38 . . . . 30.75 112.756 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -95.12 -33.12 12.78 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.275 0.843 . . . . 28.07 113.275 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -111.39 -12.07 14.07 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 115.226 1.565 . . . . 25.37 115.226 -169.573 -67.777 -61.488 99.718 103.247 2.03 99.895 147.997 -58.29 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -127.96 5.41 Favored Glycine 0 CA--C 1.494 -1.269 0 CA-C-O 124.085 1.936 . . . . 29.69 114.127 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG3' HG23 ' A' ' 34' ' ' THR . 12.6 ptp180 -63.95 -28.68 69.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 119.187 -2.36 . . . . 59.74 112.797 -175.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 33' ' ' ARG . 18.0 p -103.12 33.02 3.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.816 0.697 . . . . 33.24 110.259 -176.45 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.2 143.16 28.26 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 114.25 -1.341 . . . . 27.31 110.65 177.996 178.717 -102.613 -88.451 102.38 2.01 103.973 -57.582 -56.927 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.54 -42.71 5.85 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 120.569 -1.332 . . . . 35.47 112.106 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -149.52 161.68 41.66 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 117.382 -1.727 . . . . 40.01 110.815 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 52.01 49.72 20.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.77 -1.104 . . . . 30.06 110.343 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -94.2 164.27 13.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 113.953 1.094 . . . . 25.37 113.953 -173.189 -56.927 -57.582 -88.451 103.973 2.01 102.38 -102.613 178.717 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -58.32 -35.88 72.54 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 124.68 1.237 . . . . 30.3 110.32 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.2 p -72.8 -4.2 30.09 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 113.693 0.997 . . . . 31.34 113.693 -177.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.86 66.74 Favored Glycine 0 CA--C 1.543 1.82 0 O-C-N 120.63 -1.294 . . . . 27.19 113.543 -174.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -59.51 138.58 57.64 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 116.087 -2.245 . . . . 27.05 108.698 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -63.9 149.66 46.66 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.138 0.97 . . . . 39.14 109.954 176.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.0 p -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.381 -1.771 . . . . 30.49 111.726 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -94.25 3.22 55.53 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.568 -1.253 . . . . 36.74 111.006 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 66.67 13.04 9.17 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 116.288 -1.815 . . . . 32.82 115.321 175.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -74.2 155.45 38.33 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.49 1.95 . . . . 54.36 110.026 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.3 p -150.97 -178.89 6.86 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.67 1.856 . . . . 29.75 108.024 175.934 62.189 104.907 98.034 104.758 2.038 102.548 62.091 -178.758 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.99 175.82 36.44 Favored Glycine 0 N--CA 1.482 1.755 0 N-CA-C 109.681 -1.368 . . . . 31.99 109.681 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -35.88 74.61 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 115.486 1.661 . . . . 44.0 115.486 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.83 61.07 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 119.043 0.838 . . . . 47.43 112.31 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.73 26.9 3.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.22 0.822 . . . . 43.6 113.22 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.04 26.54 57.9 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 116.074 1.189 . . . . 40.08 116.074 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 46.4 61.05 13.69 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 118.677 1.239 . . . . 43.09 112.552 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.99 160.59 42.76 Favored 'Trans proline' 0 C--N 1.32 -0.921 0 C-N-CA 122.037 1.825 . . . . 26.52 109.786 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -75.85 168.96 23.19 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 121.512 1.475 . . . . 25.14 111.95 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.1 m -113.3 160.19 18.6 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.093 -1.077 . . . . 26.14 108.093 167.371 -63.263 -61.979 -79.535 105.654 2.017 106.065 -70.801 -68.371 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.2 -173.05 14.68 Favored Glycine 0 C--O 1.219 -0.803 0 CA-C-O 125.463 2.702 . . . . 26.42 114.412 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -61.1 133.54 56.12 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 120.412 -1.64 . . . . 43.35 111.995 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 56.96 21.37 6.16 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 113.774 1.027 . . . . 50.61 113.774 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -114.18 152.72 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.588 -0.523 . . . . 32.36 109.588 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.52 159.71 36.31 Favored 'General case' 0 C--O 1.261 1.671 0 O-C-N 124.758 1.286 . . . . 28.27 108.88 -174.949 -51.322 114.311 99.819 103.182 2.041 102.284 -71.058 -65.28 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.8 t -94.06 114.85 27.09 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.372 -0.973 . . . . 25.83 108.372 179.067 -178.758 62.091 98.034 102.548 2.038 104.758 104.907 62.189 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.1 p -79.66 167.05 21.2 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 115.412 -2.515 . . . . 30.24 108.48 -175.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.06 -13.47 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.633 -0.712 . . . . 33.88 112.907 177.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -85.87 -11.55 52.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.58 0.956 . . . . 40.36 113.58 176.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.37 30.1 6.76 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.034 -1.041 . . . . 29.23 113.183 171.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -132.41 145.66 51.38 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 124.597 0.822 . . . . 38.57 110.77 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.4 m -80.99 144.06 32.1 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 118.427 -0.797 . . . . 29.28 109.895 172.6 -68.371 -70.801 -79.535 106.065 2.017 105.654 -61.979 -63.263 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.44 173.1 45.63 Favored Glycine 0 C--O 1.254 1.348 0 N-CA-C 110.514 -1.034 . . . . 34.29 110.514 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.38 165.75 12.81 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 110.16 -1.176 . . . . 42.75 110.16 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -170.67 51.49 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-O 122.594 1.108 . . . . 50.64 113.144 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 117.605 2.446 . . . . 62.63 117.605 -175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -61.64 -16.21 46.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.715 -0.846 . . . . 51.73 108.715 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -116.76 -35.08 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.796 1.036 . . . . 36.88 113.796 -174.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.8 m -109.81 -23.93 11.13 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.638 2.458 . . . . 37.54 117.638 -167.03 -65.28 -71.058 99.819 102.284 2.041 103.182 114.311 -51.322 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.86 145.03 24.69 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 123.021 1.391 . . . . 55.27 112.702 -173.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -26.41 130.12 0.04 OUTLIER Glycine 0 N--CA 1.417 -2.625 0 C-N-CA 125.958 1.742 . . . . 46.65 117.32 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.39 -33.7 4.64 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 116.641 1.416 . . . . 41.35 116.641 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -97.54 -10.66 24.85 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.495 1.148 . . . . 43.76 111.945 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -108.46 135.67 49.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 125.396 1.685 . . . . 29.59 111.691 -172.893 -175.725 -112.025 -92.551 102.941 2.026 103.902 -62.675 -53.272 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -103.48 -30.19 10.69 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.326 -1.35 . . . . 32.75 112.14 176.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -155.17 158.65 39.26 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.12 -1.432 . . . . 24.18 110.519 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 56.75 53.59 8.14 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 123.256 1.503 . . . . 26.81 110.821 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.253 1.257 0 N-CA-C 115.16 1.541 . . . . 40.71 115.16 -169.442 -53.272 -62.675 -92.551 103.902 2.026 102.941 -112.025 -175.725 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.495 ' O ' ' CB ' ' A' ' 10' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 2 N--CA 1.614 7.742 0 CA-C-O 117.14 -1.41 . . . . 35.96 113.136 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -76.03 157.6 32.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 119.163 -1.015 . . . . 37.86 110.18 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -163.5 166.47 22.59 Favored 'General case' 0 C--N 1.313 -0.99 0 O-C-N 123.426 0.454 . . . . 22.69 109.85 -177.539 56.641 88.293 95.268 103.96 2.012 102.927 69.25 -173.934 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.15 -160.28 53.39 Favored Glycine 0 N--CA 1.44 -1.044 0 C-N-CA 123.731 0.681 . . . . 26.72 114.681 168.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -63.12 -33.86 76.37 Favored 'General case' 0 C--O 1.26 1.653 0 CA-C-N 114.409 -0.895 . . . . 34.98 112.445 -173.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -86.43 -16.71 36.32 Favored 'General case' 0 CA--C 1.498 -1.033 0 O-C-N 120.608 -1.307 . . . . 48.13 111.777 -177.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.77 21.36 11.37 Favored Glycine 0 C--N 1.367 2.263 0 O-C-N 120.723 -1.236 . . . . 28.02 115.114 -172.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.94 -14.46 34.24 Favored Glycine 0 C--N 1.349 1.291 0 C-N-CA 118.24 -1.933 . . . . 26.35 114.708 171.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.64 2.47 55.34 Favored Glycine 0 C--O 1.248 0.973 0 O-C-N 120.554 -1.556 . . . . 34.51 114.752 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 97' ' ' HOH 0.431 60.0 p . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 119.748 1.774 . . . . 43.06 112.701 -179.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 CA-C-O 122.271 0.928 . . . . 33.01 112.701 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.1 m -91.98 150.37 21.03 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 106.8 -1.556 . . . . 42.79 106.8 171.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 96.7 m -73.05 141.69 81.75 Favored Pre-proline 0 N--CA 1.465 0.292 0 C-N-CA 118.536 -1.265 . . . . 24.4 110.213 -178.124 -69.734 -75.215 -93.062 102.751 2.029 102.759 -71.707 -68.022 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -62.9 137.8 64.78 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 O-C-N 124.366 1.719 . . . . 31.06 107.97 171.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.44 4.83 89.13 Favored Glycine 0 N--CA 1.467 0.724 0 C-N-CA 119.015 -1.564 . . . . 26.58 111.391 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.72 33.1 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 117.784 0.792 . . . . 40.52 110.672 175.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -77.01 168.85 19.39 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.936 0.874 . . . . 43.06 111.339 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.1 m -75.52 143.5 42.47 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.799 -0.563 . . . . 20.72 110.294 -176.307 -58.29 147.997 99.718 99.895 2.03 103.247 -61.488 -67.777 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 t -106.52 123.23 47.78 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 127.054 2.721 . . . . 20.81 106.824 174.224 -173.934 69.25 95.268 102.927 2.012 103.96 88.293 56.641 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.7 p -75.02 169.75 17.39 Favored 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 118.361 -1.335 . . . . 22.21 109.876 179.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.9 pt -68.34 -11.64 14.69 Favored 'Isoleucine or valine' 0 C--O 1.253 1.288 0 C-N-CA 118.998 -1.081 . . . . 33.58 111.882 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -94.01 3.17 55.72 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 120.31 1.414 . . . . 36.4 112.248 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.27 37.2 25.19 Favored Glycine 0 CA--C 1.487 -1.674 0 C-N-CA 119.7 -1.238 . . . . 22.47 114.756 173.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -128.61 153.84 46.84 Favored 'General case' 0 C--N 1.362 1.14 0 O-C-N 120.949 -1.324 . . . . 36.95 109.128 172.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.4 m -95.99 144.4 26.32 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.89 1.369 . . . . 23.19 110.994 -175.813 -68.022 -71.707 -93.062 102.759 2.029 102.751 -75.215 -69.734 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.29 -177.47 41.8 Favored Glycine 0 N--CA 1.498 2.776 0 C-N-CA 117.123 -2.465 . . . . 23.93 108.915 177.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -129.78 9.39 5.41 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 114.921 1.452 . . . . 47.56 114.921 -175.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.2 p -106.87 176.26 5.23 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 123.031 1.396 . . . . 32.36 111.721 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -49.21 -47.06 76.85 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 116.875 2.176 . . . . 50.84 116.875 -174.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.22 -26.17 75.25 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.37 1.38 . . . . 30.75 112.756 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -95.12 -33.12 12.78 Favored 'General case' 0 C--O 1.219 -0.527 0 N-CA-C 113.275 0.843 . . . . 28.07 113.275 -179.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.3 m -111.39 -12.07 14.07 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 115.226 1.565 . . . . 25.37 115.226 -169.573 -67.777 -61.488 99.718 103.247 2.03 99.895 147.997 -58.29 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -127.96 5.41 Favored Glycine 0 CA--C 1.494 -1.269 0 CA-C-O 124.085 1.936 . . . . 29.69 114.127 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG3' HG23 ' A' ' 34' ' ' THR . 12.6 ptp180 -63.95 -28.68 69.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 119.187 -2.36 . . . . 59.74 112.797 -175.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.456 HG23 ' HG3' ' A' ' 33' ' ' ARG . 18.0 p -103.12 33.02 3.45 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.816 0.697 . . . . 33.24 110.259 -176.45 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 45.0 t -97.2 143.16 28.26 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 114.25 -1.341 . . . . 27.31 110.65 177.996 178.717 -102.613 -88.451 102.38 2.01 103.973 -57.582 -56.927 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -102.54 -42.71 5.85 Favored 'General case' 0 N--CA 1.441 -0.891 0 O-C-N 120.569 -1.332 . . . . 35.47 112.106 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -149.52 161.68 41.66 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 117.382 -1.727 . . . . 40.01 110.815 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 52.01 49.72 20.07 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.77 -1.104 . . . . 30.06 110.343 -173.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -94.2 164.27 13.12 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 113.953 1.094 . . . . 25.37 113.953 -173.189 -56.927 -57.582 -88.451 103.973 2.01 102.38 -102.613 178.717 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 31.9 m0 -58.32 -35.88 72.54 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 124.68 1.237 . . . . 30.3 110.32 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.2 p -72.8 -4.2 30.09 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 113.693 0.997 . . . . 31.34 113.693 -177.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.19 0.86 66.74 Favored Glycine 0 CA--C 1.543 1.82 0 O-C-N 120.63 -1.294 . . . . 27.19 113.543 -174.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -59.51 138.58 57.64 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 116.087 -2.245 . . . . 27.05 108.698 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -63.9 149.66 46.66 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 122.138 0.97 . . . . 39.14 109.954 176.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.0 p -65.54 -22.45 66.71 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.381 -1.771 . . . . 30.49 111.726 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 47.7 p30 -94.25 3.22 55.53 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 118.568 -1.253 . . . . 36.74 111.006 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 66.67 13.04 9.17 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-O 116.288 -1.815 . . . . 32.82 115.321 175.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -74.2 155.45 38.33 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.49 1.95 . . . . 54.36 110.026 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.3 p -150.97 -178.89 6.86 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 125.67 1.856 . . . . 29.75 108.024 175.934 62.189 104.907 98.034 104.758 2.038 102.548 62.091 -178.758 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.99 175.82 36.44 Favored Glycine 0 N--CA 1.482 1.755 0 N-CA-C 109.681 -1.368 . . . . 31.99 109.681 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.31 -35.88 74.61 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 115.486 1.661 . . . . 44.0 115.486 -173.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.78 -25.83 61.07 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 119.043 0.838 . . . . 47.43 112.31 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.7 m -118.73 26.9 3.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.22 0.822 . . . . 43.6 113.22 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.04 26.54 57.9 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 116.074 1.189 . . . . 40.08 116.074 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 46.4 61.05 13.69 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 118.677 1.239 . . . . 43.09 112.552 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -73.99 160.59 42.76 Favored 'Trans proline' 0 C--N 1.32 -0.921 0 C-N-CA 122.037 1.825 . . . . 26.52 109.786 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -75.85 168.96 23.19 Favored 'Trans proline' 0 N--CA 1.444 -1.397 0 C-N-CA 121.512 1.475 . . . . 25.14 111.95 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.1 m -113.3 160.19 18.6 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.093 -1.077 . . . . 26.14 108.093 167.371 -63.263 -61.979 -79.535 105.654 2.017 106.065 -70.801 -68.371 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.2 -173.05 14.68 Favored Glycine 0 C--O 1.219 -0.803 0 CA-C-O 125.463 2.702 . . . . 26.42 114.412 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -61.1 133.54 56.12 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 120.412 -1.64 . . . . 43.35 111.995 -175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 56.96 21.37 6.16 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 113.774 1.027 . . . . 50.61 113.774 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -114.18 152.72 30.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.588 -0.523 . . . . 32.36 109.588 174.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.52 159.71 36.31 Favored 'General case' 0 C--O 1.261 1.671 0 O-C-N 124.758 1.286 . . . . 28.27 108.88 -174.949 -51.322 114.311 99.819 103.182 2.041 102.284 -71.058 -65.28 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 52.8 t -94.06 114.85 27.09 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.372 -0.973 . . . . 25.83 108.372 179.067 -178.758 62.091 98.034 102.548 2.038 104.758 104.907 62.189 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 26.1 p -79.66 167.05 21.2 Favored 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 115.412 -2.515 . . . . 30.24 108.48 -175.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.06 -13.47 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.633 -0.712 . . . . 33.88 112.907 177.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -85.87 -11.55 52.97 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 113.58 0.956 . . . . 40.36 113.58 176.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.37 30.1 6.76 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 121.034 -1.041 . . . . 29.23 113.183 171.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -132.41 145.66 51.38 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 124.597 0.822 . . . . 38.57 110.77 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.4 m -80.99 144.06 32.1 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-O 118.427 -0.797 . . . . 29.28 109.895 172.6 -68.371 -70.801 -79.535 106.065 2.017 105.654 -61.979 -63.263 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.44 173.1 45.63 Favored Glycine 0 C--O 1.254 1.348 0 N-CA-C 110.514 -1.034 . . . . 34.29 110.514 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.38 165.75 12.81 Favored Glycine 0 CA--C 1.537 1.436 0 N-CA-C 110.16 -1.176 . . . . 42.75 110.16 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.02 -170.67 51.49 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-O 122.594 1.108 . . . . 50.64 113.144 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -39.77 91.19 Favored 'General case' 0 N--CA 1.425 -1.677 0 N-CA-C 117.605 2.446 . . . . 62.63 117.605 -175.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -61.64 -16.21 46.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.715 -0.846 . . . . 51.73 108.715 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -116.76 -35.08 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.796 1.036 . . . . 36.88 113.796 -174.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.8 m -109.81 -23.93 11.13 Favored 'General case' 0 N--CA 1.422 -1.83 0 N-CA-C 117.638 2.458 . . . . 37.54 117.638 -167.03 -65.28 -71.058 99.819 102.284 2.041 103.182 114.311 -51.322 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.86 145.03 24.69 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 123.021 1.391 . . . . 55.27 112.702 -173.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -26.41 130.12 0.04 OUTLIER Glycine 0 N--CA 1.417 -2.625 0 C-N-CA 125.958 1.742 . . . . 46.65 117.32 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 91.39 -33.7 4.64 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 116.641 1.416 . . . . 41.35 116.641 -174.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -97.54 -10.66 24.85 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.495 1.148 . . . . 43.76 111.945 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -108.46 135.67 49.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 125.396 1.685 . . . . 29.59 111.691 -172.893 -175.725 -112.025 -92.551 102.941 2.026 103.902 -62.675 -53.272 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -103.48 -30.19 10.69 Favored 'General case' 0 C--O 1.248 0.996 0 C-N-CA 118.326 -1.35 . . . . 32.75 112.14 176.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -155.17 158.65 39.26 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 118.12 -1.432 . . . . 24.18 110.519 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.2 mtp85 56.75 53.59 8.14 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 123.256 1.503 . . . . 26.81 110.821 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.253 1.257 0 N-CA-C 115.16 1.541 . . . . 40.71 115.16 -169.442 -53.272 -62.675 -92.551 103.902 2.026 102.941 -112.025 -175.725 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.495 ' O ' ' CB ' ' A' ' 10' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_