data_1h02_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 1h02 _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 ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 103.34 -2.837 . . . . 55.49 103.34 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.7 p -111.78 -177.63 3.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.732 1.012 . . . . 53.58 113.732 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.1 mt -124.59 116.97 23.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.29 1.036 . . . . 52.51 111.267 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 71.9 m -135.75 160.02 39.84 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 114.979 -1.01 . . . . 48.56 111.168 -178.367 -62.145 -75.109 94.308 107.233 2.03 116.391 56.676 178.339 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.59 -127.96 35.07 Favored Glycine 0 CA--C 1.488 -1.644 0 CA-C-N 114.528 -1.215 . . . . 47.94 111.165 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 76.99 Favored 'General case' 0 C--O 1.196 -1.734 0 C-N-CA 119.42 -0.912 . . . . 47.6 113.164 -176.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -63.78 -44.68 92.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 108.191 -1.04 . . . . 54.15 108.191 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.95 -46.99 87.62 Favored 'General case' 0 CA--C 1.57 1.743 0 O-C-N 124.175 0.922 . . . . 49.03 112.195 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 84.7 t -62.17 -47.13 94.58 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.886 0 O-C-N 123.248 0.342 . . . . 46.44 110.259 175.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -42.97 75.95 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 116.989 -1.884 . . . . 51.13 109.523 178.429 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.05 99.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.758 0.79 . . . . 47.3 111.569 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.21 -38.37 87.82 Favored 'General case' 0 C--O 1.19 -2.038 0 CA-C-N 115.411 -0.813 . . . . 51.2 109.805 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -65.81 -38.86 90.08 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.998 1.38 . . . . 52.96 108.217 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -73.2 -45.31 57.06 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 119.133 -1.027 . . . . 46.55 111.86 -175.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.33 -42.22 65.43 Favored 'Isoleucine or valine' 0 C--O 1.272 2.273 0 N-CA-C 113.24 0.83 . . . . 47.08 113.24 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.35 -32.06 33.12 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 114.348 1.24 . . . . 48.66 114.348 -177.249 -61.857 -48.968 -83.253 107.223 2.016 107.853 -42.451 -65.362 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.27 -126.97 43.89 Favored Glycine 0 C--N 1.344 0.997 0 O-C-N 124.077 0.861 . . . . 51.54 114.207 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.9 -20.89 65.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.567 0.58 . . . . 54.54 112.567 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -65.47 -31.04 71.9 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.885 1.439 . . . . 57.04 114.885 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -177.58 53.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 108.289 -1.925 . . . . 49.6 108.289 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -157.98 165.04 36.13 Favored 'General case' 0 C--O 1.25 1.084 0 N-CA-C 109.587 -0.523 . . . . 54.35 109.587 -174.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -136.39 166.88 22.44 Favored 'General case' 0 CA--C 1.572 1.807 0 O-C-N 125.473 1.733 . . . . 52.04 110.18 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.5 -24.29 10.65 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 116.996 2.221 . . . . 50.8 116.996 -171.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -103.38 132.53 49.55 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.194 -1.41 . . . . 51.69 107.194 -176.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -77.89 143.74 67.08 Favored Pre-proline 0 C--O 1.199 -1.573 0 N-CA-C 104.156 -2.535 . . . . 56.02 104.156 -176.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.04 150.66 85.59 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 122.569 2.179 . . . . 49.8 110.369 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -120.5 -27.47 5.15 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 114.361 1.245 . . . . 47.98 114.361 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.09 146.4 4.21 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 114.842 -3.551 . . . . 49.34 117.129 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' B' ' 31' ' ' TYR . 4.5 t80 -66.72 138.33 57.32 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 121.735 3.976 . . . . 50.2 121.735 -163.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.54 40.82 99.6 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 109.766 -1.334 . . . . 51.0 109.766 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . 0.622 15.0 t -103.0 -146.08 0.37 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.655 -1.272 . . . . 68.9 110.285 -179.313 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -49.12 12.36 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 114.733 -1.121 . . . . 54.84 113.874 -173.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 112.367 -2.197 . . . . 54.9 115.767 -160.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . 0.597 ' O ' ' O ' ' B' ' 39' ' ' PRO . . . . . . . . 0 C--O 1.219 -0.527 0 N-CA-C 112.443 0.534 . . . . 59.01 112.443 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' PRO . . . . . 0.597 ' O ' ' O ' ' B' ' 38' ' ' ALA . 42.5 Cg_exo -21.07 -139.3 0.0 OUTLIER 'Trans proline' 0 CA--C 1.538 0.682 1 C-N-CA 126.182 4.588 . . . . 58.87 118.859 -177.618 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -82.37 119.77 24.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.545 1.164 . . . . 60.8 108.978 -175.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.15 151.89 50.99 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.876 -1.528 . . . . 57.03 106.876 -168.93 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.98 -139.22 2.63 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 118.909 -1.615 . . . . 53.31 113.316 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 17.9 tt -72.25 -30.54 35.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 120.55 -0.46 . . . . 51.83 111.862 -166.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.67 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.826 0.822 . . . . 48.43 109.843 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.2 -45.4 91.17 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.848 -1.069 . . . . 49.22 111.864 175.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -79.81 -30.16 40.45 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 117.994 2.59 . . . . 56.04 117.994 -176.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 90.8 m -123.4 -21.21 5.38 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 113.703 1.001 . . . . 49.92 113.703 -169.387 -66.653 -71.313 97.444 104.389 2.037 105.646 -152.57 76.435 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 t -102.08 -53.98 2.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.538 -0.755 . . . . 47.56 112.408 178.795 178.339 56.676 94.308 116.391 2.03 107.233 -75.109 -62.145 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -69.84 -35.73 74.98 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 105.641 -1.985 . . . . 47.54 105.641 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -127.29 -175.66 3.51 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 122.415 1.103 . . . . 53.35 113.847 172.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.68 135.48 33.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.165 -1.38 . . . . 50.81 108.998 -174.759 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 13.7 p -128.55 168.87 15.09 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 118.383 -1.327 . . . . 51.99 111.142 174.366 76.435 -152.57 97.444 105.646 2.037 104.389 -71.313 -66.653 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -110.23 168.71 9.24 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 118.701 -1.2 . . . . 55.49 109.73 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.31 -41.21 60.36 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.517 0.562 . . . . 49.82 112.517 -177.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ARG . . . . . 0.642 ' NH1' ' OE1' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -65.96 -34.21 77.6 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 118.682 -1.207 . . . . 51.78 112.587 -175.591 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . . . -67.19 -50.69 60.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 123.246 1.498 . . . . 48.92 111.091 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -42.35 82.83 Favored 'General case' 0 N--CA 1.424 -1.727 0 N-CA-C 114.379 1.251 . . . . 51.97 114.379 177.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLU . . . . . 0.642 ' OE1' ' NH1' ' B' ' 55' ' ' ARG . 39.9 tt0 -64.39 -20.96 66.47 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-N 115.254 -0.885 . . . . 52.92 112.355 177.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -10.34 47.66 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.213 -0.995 . . . . 55.99 111.058 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -98.46 5.67 47.84 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 114.238 1.199 . . . . 50.76 114.238 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 98.0 m -74.07 138.91 44.3 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 108.991 -0.744 . . . . 49.82 108.991 172.101 -65.362 -42.451 -83.253 107.853 2.016 107.223 -48.968 -61.857 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.12 163.07 48.71 Favored Pre-proline 0 C--O 1.203 -1.392 0 CA-C-O 121.187 0.517 . . . . 50.99 111.353 170.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.58 178.63 0.23 Allowed 'Trans proline' 0 C--N 1.319 -1.007 0 CA-C-O 124.338 1.724 . . . . 54.08 113.057 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . 0.666 ' N ' ' CD1' ' B' ' 64' ' ' LEU . 0.0 OUTLIER -115.05 -25.83 7.97 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.996 -1.456 . . . . 57.66 110.078 173.752 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LYS . . . . . 0.471 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 16.4 tppt? 98.04 -83.77 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.427 0 CA-C-O 118.305 -0.855 . . . . 59.66 112.19 -171.701 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.17 -164.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.715 0 N-CA-C 121.954 3.79 . . . . 60.3 121.954 -69.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.15 126.24 18.37 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 111.121 -2.763 . . . . 60.44 110.341 -172.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 108.574 -0.899 . . . . 60.31 108.574 -179.446 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1069 ' ' C15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2022 ' ' HOH . . . . . 0.664 ' O ' ' O ' ' B' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 103.34 -2.837 . . . . 55.49 103.34 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.7 p -111.78 -177.63 3.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.732 1.012 . . . . 53.58 113.732 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.1 mt -124.59 116.97 23.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.29 1.036 . . . . 52.51 111.267 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 71.9 m -135.75 160.02 39.84 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 114.979 -1.01 . . . . 48.56 111.168 -178.367 -62.145 -75.109 94.308 107.233 2.03 116.391 56.676 178.339 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.59 -127.96 35.07 Favored Glycine 0 CA--C 1.488 -1.644 0 CA-C-N 114.528 -1.215 . . . . 47.94 111.165 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 76.99 Favored 'General case' 0 C--O 1.196 -1.734 0 C-N-CA 119.42 -0.912 . . . . 47.6 113.164 -176.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -63.78 -44.68 92.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 108.191 -1.04 . . . . 54.15 108.191 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.95 -46.99 87.62 Favored 'General case' 0 CA--C 1.57 1.743 0 O-C-N 124.175 0.922 . . . . 49.03 112.195 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . 0.488 HG11 H9C2 ' B' 1069 ' ' C15 . 84.7 t -62.17 -47.13 94.58 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.886 0 O-C-N 123.248 0.342 . . . . 46.44 110.259 175.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -42.97 75.95 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 116.989 -1.884 . . . . 51.13 109.523 178.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.05 99.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.758 0.79 . . . . 47.3 111.569 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.21 -38.37 87.82 Favored 'General case' 0 C--O 1.19 -2.038 0 CA-C-N 115.411 -0.813 . . . . 51.2 109.805 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -65.81 -38.86 90.08 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.998 1.38 . . . . 52.96 108.217 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -73.2 -45.31 57.06 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 119.133 -1.027 . . . . 46.55 111.86 -175.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.33 -42.22 65.43 Favored 'Isoleucine or valine' 0 C--O 1.272 2.273 0 N-CA-C 113.24 0.83 . . . . 47.08 113.24 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.35 -32.06 33.12 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 114.348 1.24 . . . . 48.66 114.348 -177.249 -61.857 -48.968 -83.253 107.223 2.016 107.853 -42.451 -65.362 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.27 -126.97 43.89 Favored Glycine 0 C--N 1.344 0.997 0 O-C-N 124.077 0.861 . . . . 51.54 114.207 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.9 -20.89 65.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.567 0.58 . . . . 54.54 112.567 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . 0.767 ' HD2' ' O ' ' B' ' 62' ' ' ALA . 15.9 mtm180 -65.47 -31.04 71.9 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.885 1.439 . . . . 57.04 114.885 -178.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -177.58 53.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 108.289 -1.925 . . . . 49.6 108.289 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -157.98 165.04 36.13 Favored 'General case' 0 C--O 1.25 1.084 0 N-CA-C 109.587 -0.523 . . . . 54.35 109.587 -174.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -136.39 166.88 22.44 Favored 'General case' 0 CA--C 1.572 1.807 0 O-C-N 125.473 1.733 . . . . 52.04 110.18 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.5 -24.29 10.65 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 116.996 2.221 . . . . 50.8 116.996 -171.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -103.38 132.53 49.55 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.194 -1.41 . . . . 51.69 107.194 -176.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.754 ' HG3' ' HD2' ' B' ' 28' ' ' PRO . 16.0 tptm -77.89 143.74 67.08 Favored Pre-proline 0 C--O 1.199 -1.573 0 N-CA-C 104.156 -2.535 . . . . 56.02 104.156 -176.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . 0.754 ' HD2' ' HG3' ' B' ' 27' ' ' LYS . 19.6 Cg_exo -62.04 150.66 85.59 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 122.569 2.179 . . . . 49.8 110.369 -178.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -120.5 -27.47 5.15 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 114.361 1.245 . . . . 47.98 114.361 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.09 146.4 4.21 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 114.842 -3.551 . . . . 49.34 117.129 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' B' ' 31' ' ' TYR . 4.5 t80 -66.72 138.33 57.32 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 121.735 3.976 . . . . 50.2 121.735 -163.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.54 40.82 99.6 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 109.766 -1.334 . . . . 51.0 109.766 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . 0.622 15.0 t -103.0 -146.08 0.37 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.655 -1.272 . . . . 68.9 110.285 -179.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -49.12 12.36 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 114.733 -1.121 . . . . 54.84 113.874 -173.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 112.367 -2.197 . . . . 54.9 115.767 -160.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' B' 2015 ' ' HOH . . . . . . . . 0 C--O 1.219 -0.527 0 N-CA-C 112.443 0.534 . . . . 59.01 112.443 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' PRO . . . . . 0.597 ' O ' ' O ' ' B' ' 38' ' ' ALA . 42.5 Cg_exo -21.07 -139.3 0.0 OUTLIER 'Trans proline' 0 CA--C 1.538 0.682 1 C-N-CA 126.182 4.588 . . . . 58.87 118.859 -177.618 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -82.37 119.77 24.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.545 1.164 . . . . 60.8 108.978 -175.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.15 151.89 50.99 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.876 -1.528 . . . . 57.03 106.876 -168.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.98 -139.22 2.63 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 118.909 -1.615 . . . . 53.31 113.316 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ILE . . . . . 0.569 HD11 HD22 ' B' ' 57' ' ' LEU . 17.9 tt -72.25 -30.54 35.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 120.55 -0.46 . . . . 51.83 111.862 -166.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.67 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.826 0.822 . . . . 48.43 109.843 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' B' ' 50' ' ' ARG . 3.0 m-20 -59.2 -45.4 91.17 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.848 -1.069 . . . . 49.22 111.864 175.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 94.9 mt-10 -79.81 -30.16 40.45 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 117.994 2.59 . . . . 56.04 117.994 -176.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 90.8 m -123.4 -21.21 5.38 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 113.703 1.001 . . . . 49.92 113.703 -169.387 -66.653 -71.313 97.444 104.389 2.037 105.646 -152.57 76.435 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 t -102.08 -53.98 2.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.538 -0.755 . . . . 47.56 112.408 178.795 178.339 56.676 94.308 116.391 2.03 107.233 -75.109 -62.145 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -69.84 -35.73 74.98 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 105.641 -1.985 . . . . 47.54 105.641 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' B' ' 45' ' ' ASP . 8.8 ptp180 -127.29 -175.66 3.51 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 122.415 1.103 . . . . 53.35 113.847 172.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.68 135.48 33.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.165 -1.38 . . . . 50.81 108.998 -174.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' CYS . . . . . 0.411 ' HB3' ' O ' ' B' ' 46' ' ' GLU . 13.7 p -128.55 168.87 15.09 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 118.383 -1.327 . . . . 51.99 111.142 174.366 76.435 -152.57 97.444 105.646 2.037 104.389 -71.313 -66.653 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -110.23 168.71 9.24 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 118.701 -1.2 . . . . 55.49 109.73 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.31 -41.21 60.36 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.517 0.562 . . . . 49.82 112.517 -177.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ARG . . . . . 0.631 ' NH1' ' OE1' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -65.96 -34.21 77.6 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 118.682 -1.207 . . . . 54.3 112.587 -175.591 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . . . -67.19 -50.69 60.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 123.246 1.498 . . . . 48.92 111.091 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . 0.569 HD22 HD11 ' B' ' 43' ' ' ILE . 0.9 OUTLIER -57.55 -42.35 82.83 Favored 'General case' 0 N--CA 1.424 -1.727 0 N-CA-C 114.379 1.251 . . . . 51.97 114.379 177.983 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLU . . . . . 0.631 ' OE1' ' NH1' ' B' ' 55' ' ' ARG . 39.9 tt0 -64.39 -20.96 66.47 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-N 115.254 -0.885 . . . . 52.92 112.355 177.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -10.34 47.66 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.213 -0.995 . . . . 55.99 111.058 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . 0.663 ' CZ ' ' HD3' ' B' ' 27' ' ' LYS . 90.3 m-85 -98.46 5.67 47.84 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 114.238 1.199 . . . . 50.76 114.238 178.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 98.0 m -74.07 138.91 44.3 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 108.991 -0.744 . . . . 49.82 108.991 172.101 -65.362 -42.451 -83.253 107.853 2.016 107.223 -48.968 -61.857 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ALA . . . . . 0.767 ' O ' ' HD2' ' B' ' 21' ' ' ARG . . . -67.12 163.07 48.71 Favored Pre-proline 0 C--O 1.203 -1.392 0 CA-C-O 121.187 0.517 . . . . 50.99 111.353 170.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.58 178.63 0.23 Allowed 'Trans proline' 0 C--N 1.319 -1.007 0 CA-C-O 124.338 1.724 . . . . 54.08 113.057 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . 1.133 HD12 ' H ' ' B' ' 64' ' ' LEU . 0.0 OUTLIER -115.05 -25.83 7.97 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.996 -1.456 . . . . 57.66 110.078 173.752 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LYS . . . . . 0.576 ' HG3' ' C ' ' B' ' 66' ' ' PRO . 16.4 tppt? 98.04 -83.77 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.427 0 CA-C-O 118.305 -0.855 . . . . 59.66 112.19 -171.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PRO . . . . . 0.576 ' C ' ' HG3' ' B' ' 65' ' ' LYS . 76.6 Cg_exo -54.17 -164.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.715 0 N-CA-C 121.954 3.79 . . . . 60.3 121.954 -69.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.15 126.24 18.37 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 111.121 -2.763 . . . . 60.44 110.341 -172.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 108.574 -0.899 . . . . 60.31 108.574 -179.446 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1069 ' ' C15 . . . . . 0.488 H9C2 HG11 ' B' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2015 ' ' HOH . . . . . 0.615 ' O ' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2022 ' ' HOH . . . . . 0.664 ' O ' ' O ' ' B' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 103.34 -2.837 . . . . 55.49 103.34 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 17.7 p -111.78 -177.63 3.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 113.732 1.012 . . . . 53.58 113.732 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.1 mt -124.59 116.97 23.29 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.29 1.036 . . . . 52.51 111.267 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 71.9 m -135.75 160.02 39.84 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-N 114.979 -1.01 . . . . 48.56 111.168 -178.367 -62.145 -75.109 94.308 107.233 2.03 116.391 56.676 178.339 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.59 -127.96 35.07 Favored Glycine 0 CA--C 1.488 -1.644 0 CA-C-N 114.528 -1.215 . . . . 47.94 111.165 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 76.99 Favored 'General case' 0 C--O 1.196 -1.734 0 C-N-CA 119.42 -0.912 . . . . 47.6 113.164 -176.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -63.78 -44.68 92.66 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 108.191 -1.04 . . . . 54.15 108.191 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 34.4 tp -59.95 -46.99 87.62 Favored 'General case' 0 CA--C 1.57 1.743 0 O-C-N 124.175 0.922 . . . . 49.03 112.195 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.488 HG11 H9C2 ' B' 1069 ' ' C15 . 84.7 t -62.17 -47.13 94.58 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.886 0 O-C-N 123.248 0.342 . . . . 46.44 110.259 175.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -42.97 75.95 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 116.989 -1.884 . . . . 51.13 109.523 178.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.05 99.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.758 0.79 . . . . 47.3 111.569 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.21 -38.37 87.82 Favored 'General case' 0 C--O 1.19 -2.038 0 CA-C-N 115.411 -0.813 . . . . 51.2 109.805 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -65.81 -38.86 90.08 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.998 1.38 . . . . 52.96 108.217 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -73.2 -45.31 57.06 Favored 'General case' 0 C--O 1.214 -0.813 0 C-N-CA 119.133 -1.027 . . . . 46.55 111.86 -175.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.33 -42.22 65.43 Favored 'Isoleucine or valine' 0 C--O 1.272 2.273 0 N-CA-C 113.24 0.83 . . . . 47.08 113.24 -176.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 73.0 m -81.35 -32.06 33.12 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 114.348 1.24 . . . . 48.66 114.348 -177.249 -61.857 -48.968 -83.253 107.223 2.016 107.853 -42.451 -65.362 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.27 -126.97 43.89 Favored Glycine 0 C--N 1.344 0.997 0 O-C-N 124.077 0.861 . . . . 51.54 114.207 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -67.9 -20.89 65.15 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.567 0.58 . . . . 54.54 112.567 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.767 ' HD2' ' O ' ' B' ' 62' ' ' ALA . 15.9 mtm180 -65.47 -31.04 71.9 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.885 1.439 . . . . 57.04 114.885 -178.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -177.58 53.84 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 108.289 -1.925 . . . . 49.6 108.289 -177.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -157.98 165.04 36.13 Favored 'General case' 0 C--O 1.25 1.084 0 N-CA-C 109.587 -0.523 . . . . 54.35 109.587 -174.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -136.39 166.88 22.44 Favored 'General case' 0 CA--C 1.572 1.807 0 O-C-N 125.473 1.733 . . . . 52.04 110.18 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -110.5 -24.29 10.65 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 116.996 2.221 . . . . 50.8 116.996 -171.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.401 ' HB3' HE21 ' B' ' 40' ' ' GLN . 70.9 m-20 -103.38 132.53 49.55 Favored 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 107.194 -1.41 . . . . 51.69 107.194 -176.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.754 ' HG3' ' HD2' ' B' ' 28' ' ' PRO . 16.0 tptm -77.89 143.74 67.08 Favored Pre-proline 0 C--O 1.199 -1.573 0 N-CA-C 104.156 -2.535 . . . . 56.02 104.156 -176.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.754 ' HD2' ' HG3' ' B' ' 27' ' ' LYS . 19.6 Cg_exo -62.04 150.66 85.59 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 C-N-CA 122.569 2.179 . . . . 49.8 110.369 -178.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 73.3 p -120.5 -27.47 5.15 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 114.361 1.245 . . . . 47.98 114.361 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.09 146.4 4.21 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 114.842 -3.551 . . . . 49.34 117.129 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . 0.48 ' C ' ' CD1' ' B' ' 31' ' ' TYR . 4.5 t80 -66.72 138.33 57.32 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 121.735 3.976 . . . . 50.2 121.735 -163.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.54 40.82 99.6 Favored Glycine 0 CA--C 1.501 -0.831 0 N-CA-C 109.766 -1.334 . . . . 51.0 109.766 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . 0.622 15.0 t -103.0 -146.08 0.37 Allowed 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 113.655 -1.272 . . . . 68.9 110.285 -179.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -49.12 12.36 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 114.733 -1.121 . . . . 54.84 113.874 -173.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 112.367 -2.197 . . . . 54.9 115.767 -160.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' B' 2015 ' ' HOH . . . . . . . . 0 C--O 1.219 -0.527 0 N-CA-C 112.443 0.534 . . . . 59.01 112.443 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' PRO . . . . . 0.597 ' O ' ' O ' ' B' ' 38' ' ' ALA . 42.5 Cg_exo -21.07 -139.3 0.0 OUTLIER 'Trans proline' 0 CA--C 1.538 0.682 1 C-N-CA 126.182 4.588 . . . . 58.87 118.859 -177.618 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' B' ' 26' ' ' ASN . 30.0 tp60 -82.37 119.77 24.58 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.545 1.164 . . . . 60.8 108.978 -175.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.15 151.89 50.99 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 106.876 -1.528 . . . . 57.03 106.876 -168.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.98 -139.22 2.63 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 118.909 -1.615 . . . . 53.31 113.316 -175.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.569 HD11 HD22 ' B' ' 57' ' ' LEU . 17.9 tt -72.25 -30.54 35.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 120.55 -0.46 . . . . 51.83 111.862 -166.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 43.1 t -59.67 -45.95 93.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.826 0.822 . . . . 48.43 109.843 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' B' ' 50' ' ' ARG . 3.0 m-20 -59.2 -45.4 91.17 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.848 -1.069 . . . . 49.22 111.864 175.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' B' ' 52' ' ' CYS . 94.9 mt-10 -79.81 -30.16 40.45 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 117.994 2.59 . . . . 56.04 117.994 -176.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' CYS . . . . . . . . . . . . . 90.8 m -123.4 -21.21 5.38 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 113.703 1.001 . . . . 49.92 113.703 -169.387 -66.653 -71.313 97.444 104.389 2.037 105.646 -152.57 76.435 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' CYS . . . . . . . . . . . . . 43.0 t -102.08 -53.98 2.81 Favored 'General case' 0 C--O 1.208 -1.088 0 CA-C-N 115.538 -0.755 . . . . 47.56 112.408 178.795 178.339 56.676 94.308 116.391 2.03 107.233 -75.109 -62.145 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -69.84 -35.73 74.98 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 105.641 -1.985 . . . . 47.54 105.641 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' B' ' 45' ' ' ASP . 8.8 ptp180 -127.29 -175.66 3.51 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 122.415 1.103 . . . . 53.35 113.847 172.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.68 135.48 33.59 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 114.165 -1.38 . . . . 50.81 108.998 -174.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.411 ' HB3' ' O ' ' B' ' 46' ' ' GLU . 13.7 p -128.55 168.87 15.09 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 118.383 -1.327 . . . . 51.99 111.142 174.366 76.435 -152.57 97.444 105.646 2.037 104.389 -71.313 -66.653 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -110.23 168.71 9.24 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 118.701 -1.2 . . . . 55.49 109.73 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.31 -41.21 60.36 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 112.517 0.562 . . . . 49.82 112.517 -177.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.631 ' NH1' ' OE1' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -65.96 -34.21 77.6 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 118.682 -1.207 . . . . 54.3 112.587 -175.591 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . . . -67.19 -50.69 60.0 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 123.246 1.498 . . . . 48.92 111.091 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.569 HD22 HD11 ' B' ' 43' ' ' ILE . 0.9 OUTLIER -57.55 -42.35 82.83 Favored 'General case' 0 N--CA 1.424 -1.727 0 N-CA-C 114.379 1.251 . . . . 51.97 114.379 177.983 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.631 ' OE1' ' NH1' ' B' ' 55' ' ' ARG . 39.9 tt0 -64.39 -20.96 66.47 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-N 115.254 -0.885 . . . . 52.92 112.355 177.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' MET . . . . . . . . . . . . . 17.8 mtm -66.9 -10.34 47.66 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.213 -0.995 . . . . 55.99 111.058 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . 0.663 ' CZ ' ' HD3' ' B' ' 27' ' ' LYS . 90.3 m-85 -98.46 5.67 47.84 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 114.238 1.199 . . . . 50.76 114.238 178.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 98.0 m -74.07 138.91 44.3 Favored 'General case' 0 CA--C 1.554 1.125 0 N-CA-C 108.991 -0.744 . . . . 49.82 108.991 172.101 -65.362 -42.451 -83.253 107.853 2.016 107.223 -48.968 -61.857 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.767 ' O ' ' HD2' ' B' ' 21' ' ' ARG . . . -67.12 163.07 48.71 Favored Pre-proline 0 C--O 1.203 -1.392 0 CA-C-O 121.187 0.517 . . . . 50.99 111.353 170.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.58 178.63 0.23 Allowed 'Trans proline' 0 C--N 1.319 -1.007 0 CA-C-O 124.338 1.724 . . . . 54.08 113.057 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . 1.133 HD12 ' H ' ' B' ' 64' ' ' LEU . 0.0 OUTLIER -115.05 -25.83 7.97 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.996 -1.456 . . . . 57.66 110.078 173.752 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.576 ' HG3' ' C ' ' B' ' 66' ' ' PRO . 16.4 tppt? 98.04 -83.77 0.0 OUTLIER Pre-proline 0 CA--C 1.562 1.427 0 CA-C-O 118.305 -0.855 . . . . 59.66 112.19 -171.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PRO . . . . . 0.576 ' C ' ' HG3' ' B' ' 65' ' ' LYS . 76.6 Cg_exo -54.17 -164.64 0.01 OUTLIER 'Trans proline' 0 CA--C 1.51 -0.715 0 N-CA-C 121.954 3.79 . . . . 60.3 121.954 -69.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.15 126.24 18.37 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 111.121 -2.763 . . . . 60.44 110.341 -172.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 108.574 -0.899 . . . . 60.31 108.574 -179.446 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1069 ' ' C15 . . . . . 0.488 H9C2 HG11 ' B' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2015 ' ' HOH . . . . . 0.615 ' O ' ' HB1' ' B' ' 38' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2022 ' ' HOH . . . . . 0.664 ' O ' ' O ' ' B' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_