data_3r2e_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 3r2e _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 ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.58 0 N-CA-C 109.196 -0.668 . . . . 88.450000000000003 109.196 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -89.58 164.11 14.9 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 117.473 -1.691 . . . . 85.290000000000006 110.767 -167.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -68.11 147.9 51.69 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.21 -0.905 . . . . 60.840000000000003 109.489 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.84 138.78 53.02 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 108.978 -0.749 . . . . 50.850000000000001 108.978 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -105.1 128.5 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 N-CA-C 106.42 -1.696 . . . . 49.170000000000002 106.42 162.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -123.4 150.43 43.77 Favored 'General case' 0 C--O 1.266 1.965 0 N-CA-C 115.066 1.506 . . . . 44.600000000000001 115.066 -174.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 98.2 mt -129.43 122.17 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 107.16 -1.422 . . . . 44.659999999999997 107.16 167.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -101.46 132.34 47.11 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 119.0 0.818 . . . . 59.840000000000003 110.724 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 51.82 64.29 1.91 Allowed 'General case' 0 C--O 1.203 -1.344 0 CA-C-O 122.963 1.363 . . . . 57.270000000000003 113.802 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -90.4 121.57 32.5 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 104.475 -2.417 . . . . 36.68 104.475 170.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -107.04 123.9 48.87 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 104.415 -2.439 . . . . 41.359999999999999 104.415 -167.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.0 t -118.74 134.47 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 112.36 0.504 . . . . 44.840000000000003 112.36 173.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mm -91.55 127.11 44.08 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 N-CA-C 106.606 -1.628 . . . . 53.030000000000001 106.606 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -139.42 -176.74 4.64 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.569 -0.741 . . . . 62.810000000000002 110.939 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.66 116.75 25.92 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 103.671 -2.714 . . . . 80.239999999999995 103.671 175.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.3 tt -154.13 146.46 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 113.318 0.859 . . . . 83.709999999999994 113.318 -165.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.54 169.6 11.66 Favored Glycine 0 C--O 1.252 1.279 0 N-CA-C 114.972 0.749 . . . . 111.03 114.972 167.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.85 -44.3 59.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.848 -0.676 . . . . 138.97999999999999 111.627 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.56 159.97 14.59 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 117.351 2.352 . . . . 149.19 117.351 -159.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.86 -47.17 8.22 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 126.218 1.807 . . . . 157.66 115.613 167.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -70.35 -37.15 74.57 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.472 1.286 . . . . 124.91 114.472 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.57 -20.64 66.06 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.388 0.43 . . . . 107.94 112.057 172.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -80.78 -22.18 40.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.803 0.668 . . . . 115.43000000000001 112.803 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.6 p -95.46 22.82 6.55 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.156 0.503 . . . . 114.45999999999999 111.202 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.68 134.02 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 114.871 1.434 . . . . 87.909999999999997 114.871 -167.93 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -79.52 135.14 36.55 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 115.074 -0.966 . . . . 81.609999999999999 110.025 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -137.85 152.59 49.23 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.141 -0.936 . . . . 79.430000000000007 110.338 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -100.08 130.52 46.24 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.572 -0.74 . . . . 55.619999999999997 109.068 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -108.05 149.46 28.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 120.374 -0.53 . . . . 46.829999999999998 109.877 167.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -127.99 122.93 59.6 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 N-CA-C 105.96 -1.867 . . . . 38.100000000000001 105.96 -174.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.36 134.84 46.07 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.354 0.872 . . . . 42.049999999999997 113.354 -176.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -111.53 121.72 45.92 Favored 'General case' 0 C--O 1.262 1.748 0 N-CA-C 106.239 -1.763 . . . . 51.950000000000003 106.239 161.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 mt -118.76 127.27 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 CA-C-O 118.966 -0.54 . . . . 45.460000000000001 109.558 -171.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -120.29 130.72 54.59 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 107.888 -1.153 . . . . 64.219999999999999 107.888 167.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.5 mtm -124.49 128.97 49.78 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.104 1.15 . . . . 70.510000000000005 114.104 172.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.32 135.36 40.85 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-O 121.406 0.448 . . . . 65.450000000000003 113.33 170.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -149.94 173.81 13.39 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 107.884 -1.154 . . . . 82.180000000000007 107.884 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -116.58 95.53 5.09 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 106.682 -1.599 . . . . 78.790000000000006 106.682 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -67.63 -31.69 71.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 114.629 -1.169 . . . . 68.420000000000002 113.806 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -40.57 76.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.519 0.675 . . . . 86.840000000000003 111.052 177.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -78.74 -38.99 37.51 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 125.189 1.395 . . . . 95.739999999999995 110.928 -178.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -54.02 43.99 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.905 0.706 . . . . 80.769999999999996 112.905 171.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.38 86.81 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.159 1.17 . . . . 96.400000000000006 114.159 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.32 12.93 66.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 118.268 2.067 . . . . 113.29000000000001 118.268 -175.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.5 m -115.33 141.49 47.96 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 117.278 2.325 . . . . 116.69 117.278 -162.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -81.98 -20.26 38.87 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.583 1.177 . . . . 149.22999999999999 113.017 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -79.77 120.69 24.4 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 123.316 0.646 . . . . 131.56999999999999 109.612 -173.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.47 -17.48 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.809 0.693 . . . . 137.75999999999999 111.67 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -99.29 -8.27 25.18 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 117.091 2.256 . . . . 105.59 117.091 -173.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -75.43 1.69 13.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.348 0.87 . . . . 108.02 113.348 175.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -120.33 137.35 54.32 Favored 'General case' 0 CA--C 1.487 -1.458 0 C-N-CA 124.273 1.029 . . . . 101.28 112.095 178.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.6 mt -85.82 121.14 28.05 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 125.376 1.673 . . . . 84.269999999999996 111.823 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.7 t -85.76 112.06 20.72 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 112.326 -2.215 . . . . 86.879999999999995 109.081 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -52.64 -44.75 66.32 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.564 1.146 . . . . 88.140000000000001 112.397 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.61 96.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.851 1.344 . . . . 76.430000000000007 108.472 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -59.69 -51.45 69.74 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.56 -0.745 . . . . 88.409999999999997 109.978 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.2 mt -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 CA-C-O 121.577 0.703 . . . . 63.079999999999998 110.532 -177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -62.44 -48.05 81.36 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 107.863 -1.162 . . . . 54.880000000000003 107.863 -174.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.9 -46.35 71.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.689 1.243 . . . . 68.609999999999999 111.277 -178.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.56 95.04 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 119.747 -0.781 . . . . 59.829999999999998 110.471 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.07 -50.82 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 120.1 -0.64 . . . . 52.609999999999999 109.348 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.73 -45.19 60.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.228 -1.027 . . . . 57.149999999999999 108.228 179.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -61.6 -50.97 70.45 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 116.317 -0.401 . . . . 85.730000000000004 110.052 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.13 -48.58 79.48 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 124.409 1.068 . . . . 66.090000000000003 112.855 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.96 -38.95 13.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 123.07 0.548 . . . . 59.219999999999999 110.323 -167.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.81 -22.25 72.45 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 114.976 0.75 . . . . 68.239999999999995 114.976 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.1 p -90.93 -18.45 24.69 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.762 -0.219 . . . . 81.239999999999995 111.475 -172.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.04 177.41 4.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.749 1.388 . . . . 92.799999999999997 114.749 174.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -109.4 145.3 36.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 112.595 -2.093 . . . . 104.54000000000001 106.198 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.01 159.73 39.87 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.56 -1.274 . . . . 75.680000000000007 107.56 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.9 -41.68 6.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.811 1.319 . . . . 82.709999999999994 108.488 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.92 139.56 52.52 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 119.454 -0.898 . . . . 80.120000000000005 113.131 -168.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.15 -40.05 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 122.743 1.258 . . . . 64.159999999999997 108.939 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -46.26 -46.59 17.94 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.992 -1.913 . . . . 71.629999999999995 110.808 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -51.83 50.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.841 1.656 . . . . 95.290000000000006 107.783 -177.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.8 t -50.79 -50.78 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.837 -1.172 . . . . 55.200000000000003 107.837 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.39 74.05 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 119.442 -0.903 . . . . 51.07 109.84 -173.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.8 -46.03 74.43 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 124.181 0.926 . . . . 69.599999999999994 112.546 -178.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -76.01 -33.27 59.67 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 110.046 -0.353 . . . . 69.310000000000002 110.046 -173.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.35 -43.86 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 119.18 -1.008 . . . . 50.539999999999999 112.2 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.41 -46.11 76.66 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 118.444 0.565 . . . . 55.950000000000003 111.037 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.36 -52.19 43.13 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.272 0.629 . . . . 92.430000000000007 110.355 -173.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 tt -47.18 -41.36 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.872 -1.058 . . . . 70.439999999999998 113.464 170.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.91 -42.04 77.37 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.763 1.764 . . . . 65.280000000000001 115.763 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.81 -32.56 74.11 Favored 'General case' 0 C--O 1.249 1.05 0 O-C-N 123.682 0.614 . . . . 78.480000000000004 112.639 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -84.7 -40.71 17.03 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 120.117 -0.633 . . . . 86.920000000000002 111.033 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -11.81 19.9 Favored 'General case' 0 N--CA 1.425 -1.71 0 O-C-N 125.59 1.806 . . . . 115.09 108.777 -158.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -121.77 -5.72 9.12 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 119.358 -0.937 . . . . 79.980000000000004 112.733 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 37.85 63.28 0.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 114.512 1.301 . . . . 87.620000000000005 114.512 -167.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 t -95.62 135.93 22.73 Favored Pre-proline 0 C--O 1.251 1.162 0 N-CA-C 103.163 -2.903 . . . . 68.400000000000006 103.163 165.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.59 -23.36 57.1 Favored 'Trans proline' 0 CA--C 1.556 1.616 0 C-N-CA 123.439 2.759 . . . . 68.879999999999995 114.256 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -161.15 142.73 11.84 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 121.627 -0.67 . . . . 65.849999999999994 110.176 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.95 149.8 33.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.057 -0.974 . . . . 53.890000000000001 110.055 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -124.35 120.35 31.87 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.004 -1.48 . . . . 75.400000000000006 107.004 164.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.16 121.54 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 N-CA-C 106.973 -1.491 . . . . 50.369999999999997 106.973 -175.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -106.03 120.01 40.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.072 -1.455 . . . . 50.810000000000002 107.072 168.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.8 t -108.85 120.74 60.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 106.403 -1.703 . . . . 41.57 106.403 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.0 m -110.97 143.88 40.96 Favored 'General case' 0 C--O 1.249 1.077 0 N-CA-C 108.088 -1.078 . . . . 41.590000000000003 108.088 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -120.06 87.88 39.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 106.896 -1.52 . . . . 75.079999999999998 106.896 168.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.15 138.32 36.31 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 O-C-N 122.522 0.748 . . . . 55.18 113.125 -170.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.68 22.49 61.92 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-O 117.779 -1.567 . . . . 64.019999999999996 113.783 -173.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.76 -30.58 70.88 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-N 120.548 2.174 . . . . 57.780000000000001 107.145 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.6 t -114.1 120.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.169 -1.378 . . . . 50.789999999999999 111.133 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -36.48 63.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.853 1.057 . . . . 50.420000000000002 113.853 -175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -88.6 1.64 54.6 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.8 0.667 . . . . 52.079999999999998 112.8 -173.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.78 160.65 29.26 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.248 0.619 . . . . 42.43 109.879 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -81.32 -32.25 33.14 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 123.296 1.522 . . . . 75.659999999999997 108.057 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -168.44 152.49 5.89 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 113.764 -1.562 . . . . 55.380000000000003 112.348 -164.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.79 162.59 4.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 N-CA-C 107.126 -1.435 . . . . 46.359999999999999 107.126 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.72 -155.41 26.46 Favored Glycine 0 C--O 1.248 0.999 0 C-N-CA 119.853 -1.165 . . . . 45.32 113.085 176.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.33 149.23 31.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 CA-C-O 120.861 0.362 . . . . 49.18 110.596 -176.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.17 131.64 72.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.524 -0.307 . . . . 47.170000000000002 110.246 166.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.4 pt -135.15 146.3 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.876 0.87 . . . . 51.469999999999999 112.724 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -114.73 138.27 50.92 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.587 0.708 . . . . 68.25 109.833 166.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -135.34 153.17 51.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.849 -1.069 . . . . 63.109999999999999 109.048 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.94 -155.49 33.27 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.78 -1.728 . . . . 79.469999999999999 108.78 -168.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.978 0 N-CA-C 117.642 2.46 . . . . 110.31999999999999 117.642 176.428 . . . . . . . . 1 1 . 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 build full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.58 0 N-CA-C 109.196 -0.668 . . . . 88.45 109.196 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -89.58 164.11 14.9 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 117.473 -1.691 . . . . 85.29 110.767 -167.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -68.11 147.9 51.69 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.21 -0.905 . . . . 60.84 109.489 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.84 138.78 53.02 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 108.978 -0.749 . . . . 50.85 108.978 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . 0.521 HG13 ' HE1' ' A' ' 53' ' ' TYR . 45.7 t -105.1 128.5 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 N-CA-C 106.42 -1.696 . . . . 49.17 106.42 162.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -123.4 150.43 43.77 Favored 'General case' 0 C--O 1.266 1.965 0 N-CA-C 115.066 1.506 . . . . 44.6 115.066 -174.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 98.2 mt -129.43 122.17 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 107.16 -1.422 . . . . 44.66 107.16 167.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -101.46 132.34 47.11 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 119.0 0.818 . . . . 59.84 110.724 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 51.82 64.29 1.91 Allowed 'General case' 0 C--O 1.203 -1.344 0 CA-C-O 122.963 1.363 . . . . 57.27 113.802 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -90.4 121.57 32.5 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 104.475 -2.417 . . . . 36.68 104.475 170.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -107.04 123.9 48.87 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 104.415 -2.439 . . . . 41.36 104.415 -167.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.0 t -118.74 134.47 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 112.36 0.504 . . . . 44.84 112.36 173.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mm -91.55 127.11 44.08 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 N-CA-C 106.606 -1.628 . . . . 53.03 106.606 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -139.42 -176.74 4.64 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.569 -0.741 . . . . 62.81 110.939 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.66 116.75 25.92 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 103.671 -2.714 . . . . 80.24 103.671 175.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 16' ' ' GLY . 2.3 tt -154.13 146.46 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 113.318 0.859 . . . . 83.71 113.318 -165.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 15' ' ' ILE . . . 139.54 169.6 11.66 Favored Glycine 0 C--O 1.252 1.279 0 N-CA-C 114.972 0.749 . . . . 111.03 114.972 167.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.85 -44.3 59.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.848 -0.676 . . . . 138.98 111.627 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.56 159.97 14.59 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 117.351 2.352 . . . . 149.19 117.351 -159.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.86 -47.17 8.22 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 126.218 1.807 . . . . 157.66 115.613 167.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ3' ' HG3' ' A' ' 21' ' ' GLU . 65.6 p-90 -70.35 -37.15 74.57 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.472 1.286 . . . . 124.91 114.472 -178.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' HG3' ' CZ3' ' A' ' 20' ' ' TRP . 30.8 mt-10 -66.57 -20.64 66.06 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.388 0.43 . . . . 107.94 112.057 172.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -80.78 -22.18 40.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.803 0.668 . . . . 115.43 112.803 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.6 p -95.46 22.82 6.55 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.156 0.503 . . . . 114.46 111.202 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.68 134.02 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 114.871 1.434 . . . . 87.91 114.871 -167.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -79.52 135.14 36.55 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 115.074 -0.966 . . . . 81.61 110.025 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -137.85 152.59 49.23 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.141 -0.936 . . . . 79.43 110.338 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -100.08 130.52 46.24 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.572 -0.74 . . . . 55.62 109.068 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -108.05 149.46 28.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 120.374 -0.53 . . . . 46.83 109.877 167.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -127.99 122.93 59.6 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 N-CA-C 105.96 -1.867 . . . . 38.1 105.96 -174.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.36 134.84 46.07 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.354 0.872 . . . . 42.05 113.354 -176.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -111.53 121.72 45.92 Favored 'General case' 0 C--O 1.262 1.748 0 N-CA-C 106.239 -1.763 . . . . 51.95 106.239 161.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 mt -118.76 127.27 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 CA-C-O 118.966 -0.54 . . . . 45.46 109.558 -171.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -120.29 130.72 54.59 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 107.888 -1.153 . . . . 64.22 107.888 167.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' MET . . . . . 0.561 ' HE1' HD13 ' A' ' 56' ' ' ILE . 34.5 mtm -124.49 128.97 49.78 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.104 1.15 . . . . 70.51 114.104 172.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.32 135.36 40.85 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-O 121.406 0.448 . . . . 65.45 113.33 170.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -149.94 173.81 13.39 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 107.884 -1.154 . . . . 82.18 107.884 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -116.58 95.53 5.09 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 106.682 -1.599 . . . . 78.79 106.682 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -67.63 -31.69 71.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 114.629 -1.169 . . . . 68.42 113.806 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -40.57 76.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.519 0.675 . . . . 86.84 111.052 177.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 44' ' ' SER . 3.0 ttmt -78.74 -38.99 37.51 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 125.189 1.395 . . . . 95.74 110.928 -178.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -54.02 43.99 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.905 0.706 . . . . 80.77 112.905 171.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.38 86.81 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.159 1.17 . . . . 96.4 114.159 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.32 12.93 66.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 118.268 2.067 . . . . 113.29 118.268 -175.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 2.5 m -115.33 141.49 47.96 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 117.278 2.325 . . . . 116.69 117.278 -162.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -81.98 -20.26 38.87 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.583 1.177 . . . . 149.23 113.017 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . 8.3 t0 -79.77 120.69 24.4 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 123.316 0.646 . . . . 131.57 109.612 -173.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.47 -17.48 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.809 0.693 . . . . 137.76 111.67 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -99.29 -8.27 25.18 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 117.091 2.256 . . . . 105.59 117.091 -173.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 46' ' ' ASP . 75.3 m-20 -75.43 1.69 13.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.348 0.87 . . . . 108.02 113.348 175.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -120.33 137.35 54.32 Favored 'General case' 0 CA--C 1.487 -1.458 0 C-N-CA 124.273 1.029 . . . . 101.28 112.095 178.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.6 mt -85.82 121.14 28.05 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 125.376 1.673 . . . . 84.27 111.823 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 55' ' ' ASP . 42.7 t -85.76 112.06 20.72 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 112.326 -2.215 . . . . 86.88 109.081 177.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . 0.521 ' HE1' HG13 ' A' ' 4' ' ' VAL . 40.4 m-85 -52.64 -44.75 66.32 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.564 1.146 . . . . 88.14 112.397 173.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.61 96.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.851 1.344 . . . . 76.43 108.472 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 35.6 m-20 -59.69 -51.45 69.74 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.56 -0.745 . . . . 88.41 109.978 -179.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . 0.561 HD13 ' HE1' ' A' ' 34' ' ' MET . 10.2 mt -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 CA-C-O 121.577 0.703 . . . . 63.08 110.532 -177.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -62.44 -48.05 81.36 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 107.863 -1.162 . . . . 54.88 107.863 -174.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.9 -46.35 71.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.689 1.243 . . . . 68.61 111.277 -178.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.56 95.04 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 119.747 -0.781 . . . . 59.83 110.471 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.07 -50.82 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 120.1 -0.64 . . . . 52.61 109.348 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.73 -45.19 60.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.228 -1.027 . . . . 57.15 108.228 179.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -61.6 -50.97 70.45 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 116.317 -0.401 . . . . 85.73 110.052 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.13 -48.58 79.48 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 124.409 1.068 . . . . 66.09 112.855 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.96 -38.95 13.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 123.07 0.548 . . . . 59.22 110.323 -167.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.81 -22.25 72.45 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 114.976 0.75 . . . . 68.24 114.976 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.1 p -90.93 -18.45 24.69 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.762 -0.219 . . . . 81.24 111.475 -172.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.04 177.41 4.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.749 1.388 . . . . 92.8 114.749 174.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -109.4 145.3 36.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 112.595 -2.093 . . . . 104.54 106.198 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.01 159.73 39.87 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.56 -1.274 . . . . 75.68 107.56 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.9 -41.68 6.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.811 1.319 . . . . 82.71 108.488 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.92 139.56 52.52 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 119.454 -0.898 . . . . 80.12 113.131 -168.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.15 -40.05 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 122.743 1.258 . . . . 64.16 108.939 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -46.26 -46.59 17.94 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.992 -1.913 . . . . 71.63 110.808 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . 0.635 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -66.86 -51.83 50.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.841 1.656 . . . . 95.29 107.783 -177.585 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.8 t -50.79 -50.78 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.837 -1.172 . . . . 55.2 107.837 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.39 74.05 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 119.442 -0.903 . . . . 51.07 109.84 -173.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.8 -46.03 74.43 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 124.181 0.926 . . . . 69.6 112.546 -178.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 74' ' ' ARG . 35.9 mt-10 -76.01 -33.27 59.67 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 110.046 -0.353 . . . . 69.31 110.046 -173.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.35 -43.86 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 119.18 -1.008 . . . . 50.54 112.2 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.41 -46.11 76.66 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 118.444 0.565 . . . . 55.95 111.037 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.36 -52.19 43.13 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.272 0.629 . . . . 92.43 110.355 -173.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 4.6 tt -47.18 -41.36 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.872 -1.058 . . . . 70.44 113.464 170.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.91 -42.04 77.37 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.763 1.764 . . . . 65.28 115.763 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.81 -32.56 74.11 Favored 'General case' 0 C--O 1.249 1.05 0 O-C-N 123.682 0.614 . . . . 78.48 112.639 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -84.7 -40.71 17.03 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 120.117 -0.633 . . . . 86.92 111.033 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -100.43 -11.81 19.9 Favored 'General case' 0 N--CA 1.425 -1.71 0 O-C-N 125.59 1.806 . . . . 115.09 108.777 -158.823 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -121.77 -5.72 9.12 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 119.358 -0.937 . . . . 79.98 112.733 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 37.85 63.28 0.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 114.512 1.301 . . . . 87.62 114.512 -167.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 t -95.62 135.93 22.73 Favored Pre-proline 0 C--O 1.251 1.162 0 N-CA-C 103.163 -2.903 . . . . 68.4 103.163 165.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.59 -23.36 57.1 Favored 'Trans proline' 0 CA--C 1.556 1.616 0 C-N-CA 123.439 2.759 . . . . 68.88 114.256 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -161.15 142.73 11.84 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 121.627 -0.67 . . . . 65.85 110.176 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.95 149.8 33.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.057 -0.974 . . . . 53.89 110.055 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -124.35 120.35 31.87 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.004 -1.48 . . . . 75.4 107.004 164.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.16 121.54 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 N-CA-C 106.973 -1.491 . . . . 50.37 106.973 -175.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -106.03 120.01 40.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.072 -1.455 . . . . 50.81 107.072 168.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.8 t -108.85 120.74 60.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 106.403 -1.703 . . . . 41.57 106.403 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.0 m -110.97 143.88 40.96 Favored 'General case' 0 C--O 1.249 1.077 0 N-CA-C 108.088 -1.078 . . . . 41.59 108.088 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -120.06 87.88 39.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 106.896 -1.52 . . . . 75.08 106.896 168.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.15 138.32 36.31 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 O-C-N 122.522 0.748 . . . . 55.18 113.125 -170.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.68 22.49 61.92 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-O 117.779 -1.567 . . . . 64.02 113.783 -173.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.76 -30.58 70.88 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-N 120.548 2.174 . . . . 57.78 107.145 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.6 t -114.1 120.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.169 -1.378 . . . . 50.79 111.133 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -36.48 63.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.853 1.057 . . . . 50.42 113.853 -175.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -88.6 1.64 54.6 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.8 0.667 . . . . 52.08 112.8 -173.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.78 160.65 29.26 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.248 0.619 . . . . 42.43 109.879 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -81.32 -32.25 33.14 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 123.296 1.522 . . . . 75.66 108.057 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -168.44 152.49 5.89 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 113.764 -1.562 . . . . 55.38 112.348 -164.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.79 162.59 4.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 N-CA-C 107.126 -1.435 . . . . 46.36 107.126 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.72 -155.41 26.46 Favored Glycine 0 C--O 1.248 0.999 0 C-N-CA 119.853 -1.165 . . . . 45.32 113.085 176.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.33 149.23 31.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 CA-C-O 120.861 0.362 . . . . 49.18 110.596 -176.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.17 131.64 72.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.524 -0.307 . . . . 47.17 110.246 166.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.4 pt -135.15 146.3 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.876 0.87 . . . . 51.47 112.724 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -114.73 138.27 50.92 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.587 0.708 . . . . 68.25 109.833 166.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -135.34 153.17 51.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.849 -1.069 . . . . 63.11 109.048 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.94 -155.49 33.27 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.78 -1.728 . . . . 79.47 108.78 -168.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.978 0 N-CA-C 117.642 2.46 . . . . 110.32 117.642 176.428 . . . . . . . . 1 1 . 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 nobuild full ' A' A ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.58 0 N-CA-C 109.196 -0.668 . . . . 88.45 109.196 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -89.58 164.11 14.9 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 117.473 -1.691 . . . . 85.29 110.767 -167.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -68.11 147.9 51.69 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 115.21 -0.905 . . . . 60.84 109.489 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.84 138.78 53.02 Favored 'Isoleucine or valine' 0 C--O 1.253 1.265 0 N-CA-C 108.978 -0.749 . . . . 50.85 108.978 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.521 HG13 ' HE1' ' A' ' 53' ' ' TYR . 45.7 t -105.1 128.5 58.89 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.369 0 N-CA-C 106.42 -1.696 . . . . 49.17 106.42 162.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -123.4 150.43 43.77 Favored 'General case' 0 C--O 1.266 1.965 0 N-CA-C 115.066 1.506 . . . . 44.6 115.066 -174.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 98.2 mt -129.43 122.17 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 N-CA-C 107.16 -1.422 . . . . 44.66 107.16 167.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -101.46 132.34 47.11 Favored 'General case' 0 C--O 1.273 2.301 0 CA-C-N 119.0 0.818 . . . . 59.84 110.724 177.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 51.82 64.29 1.91 Allowed 'General case' 0 C--O 1.203 -1.344 0 CA-C-O 122.963 1.363 . . . . 57.27 113.802 174.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 tp -90.4 121.57 32.5 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 104.475 -2.417 . . . . 36.68 104.475 170.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -107.04 123.9 48.87 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 104.415 -2.439 . . . . 41.36 104.415 -167.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.0 t -118.74 134.47 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 112.36 0.504 . . . . 44.84 112.36 173.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.7 mm -91.55 127.11 44.08 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 N-CA-C 106.606 -1.628 . . . . 53.03 106.606 175.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -139.42 -176.74 4.64 Favored 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 115.569 -0.741 . . . . 62.81 110.939 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.66 116.75 25.92 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 103.671 -2.714 . . . . 80.24 103.671 175.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 16' ' ' GLY . 2.3 tt -154.13 146.46 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 113.318 0.859 . . . . 83.71 113.318 -165.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 15' ' ' ILE . . . 139.54 169.6 11.66 Favored Glycine 0 C--O 1.252 1.279 0 N-CA-C 114.972 0.749 . . . . 111.03 114.972 167.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.85 -44.3 59.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 114.848 -0.676 . . . . 138.98 111.627 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -98.56 159.97 14.59 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 117.351 2.352 . . . . 149.19 117.351 -159.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -43.86 -47.17 8.22 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 126.218 1.807 . . . . 157.66 115.613 167.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.509 ' CZ3' ' HG3' ' A' ' 21' ' ' GLU . 65.6 p-90 -70.35 -37.15 74.57 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.472 1.286 . . . . 124.91 114.472 -178.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' HG3' ' CZ3' ' A' ' 20' ' ' TRP . 30.8 mt-10 -66.57 -20.64 66.06 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 123.388 0.43 . . . . 107.94 112.057 172.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -80.78 -22.18 40.32 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.803 0.668 . . . . 115.43 112.803 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.6 p -95.46 22.82 6.55 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.156 0.503 . . . . 114.46 111.202 174.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.68 134.02 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 114.871 1.434 . . . . 87.91 114.871 -167.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -79.52 135.14 36.55 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 115.074 -0.966 . . . . 81.61 110.025 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -137.85 152.59 49.23 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.141 -0.936 . . . . 79.43 110.338 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -100.08 130.52 46.24 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.572 -0.74 . . . . 55.62 109.068 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -108.05 149.46 28.4 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 120.374 -0.53 . . . . 46.83 109.877 167.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -127.99 122.93 59.6 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 N-CA-C 105.96 -1.867 . . . . 38.1 105.96 -174.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.36 134.84 46.07 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.354 0.872 . . . . 42.05 113.354 -176.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -111.53 121.72 45.92 Favored 'General case' 0 C--O 1.262 1.748 0 N-CA-C 106.239 -1.763 . . . . 51.95 106.239 161.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 mt -118.76 127.27 75.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 CA-C-O 118.966 -0.54 . . . . 45.46 109.558 -171.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -120.29 130.72 54.59 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 107.888 -1.153 . . . . 64.22 107.888 167.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' MET . . . . . 0.561 ' HE1' HD13 ' A' ' 56' ' ' ILE . 34.5 mtm -124.49 128.97 49.78 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 114.104 1.15 . . . . 70.51 114.104 172.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.32 135.36 40.85 Favored Glycine 0 C--O 1.247 0.915 0 CA-C-O 121.406 0.448 . . . . 65.45 113.33 170.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -149.94 173.81 13.39 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 107.884 -1.154 . . . . 82.18 107.884 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -116.58 95.53 5.09 Favored 'General case' 0 C--O 1.244 0.784 0 N-CA-C 106.682 -1.599 . . . . 78.79 106.682 171.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -67.63 -31.69 71.88 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 114.629 -1.169 . . . . 68.42 113.806 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.9 -40.57 76.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.519 0.675 . . . . 86.84 111.052 177.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 44' ' ' SER . 3.0 ttmt -78.74 -38.99 37.51 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 125.189 1.395 . . . . 95.74 110.928 -178.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -54.02 43.99 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.905 0.706 . . . . 80.77 112.905 171.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.38 86.81 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.159 1.17 . . . . 96.4 114.159 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.32 12.93 66.31 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 118.268 2.067 . . . . 113.29 118.268 -175.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 2.5 m -115.33 141.49 47.96 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 117.278 2.325 . . . . 116.69 117.278 -162.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -81.98 -20.26 38.87 Favored 'General case' 0 C--O 1.237 0.44 0 O-C-N 124.583 1.177 . . . . 149.23 113.017 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . 8.3 t0 -79.77 120.69 24.4 Favored 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 123.316 0.646 . . . . 131.57 109.612 -173.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.3 m -53.47 -17.48 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 123.809 0.693 . . . . 137.76 111.67 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -99.29 -8.27 25.18 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 117.091 2.256 . . . . 105.59 117.091 -173.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' A' ' 46' ' ' ASP . 75.3 m-20 -75.43 1.69 13.34 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.348 0.87 . . . . 108.02 113.348 175.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.4 m -120.33 137.35 54.32 Favored 'General case' 0 CA--C 1.487 -1.458 0 C-N-CA 124.273 1.029 . . . . 101.28 112.095 178.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 12.6 mt -85.82 121.14 28.05 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 125.376 1.673 . . . . 84.27 111.823 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 55' ' ' ASP . 42.7 t -85.76 112.06 20.72 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 112.326 -2.215 . . . . 86.88 109.081 177.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.521 ' HE1' HG13 ' A' ' 4' ' ' VAL . 40.4 m-85 -52.64 -44.75 66.32 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.564 1.146 . . . . 88.14 112.397 173.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.3 -44.61 96.12 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.851 1.344 . . . . 76.43 108.472 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 35.6 m-20 -59.69 -51.45 69.74 Favored 'General case' 0 N--CA 1.429 -1.475 0 CA-C-N 115.56 -0.745 . . . . 88.41 109.978 -179.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 HD13 ' HE1' ' A' ' 34' ' ' MET . 10.2 mt -60.04 -45.69 95.2 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 CA-C-O 121.577 0.703 . . . . 63.08 110.532 -177.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -62.44 -48.05 81.36 Favored 'General case' 0 C--O 1.201 -1.485 0 N-CA-C 107.863 -1.162 . . . . 54.88 107.863 -174.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -53.9 -46.35 71.4 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.689 1.243 . . . . 68.61 111.277 -178.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.56 95.04 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 119.747 -0.781 . . . . 59.83 110.471 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.1 t -69.07 -50.82 49.84 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 120.1 -0.64 . . . . 52.61 109.348 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.73 -45.19 60.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 N-CA-C 108.228 -1.027 . . . . 57.15 108.228 179.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -61.6 -50.97 70.45 Favored 'General case' 0 CA--C 1.485 -1.54 0 CA-C-N 116.317 -0.401 . . . . 85.73 110.052 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.13 -48.58 79.48 Favored 'General case' 0 C--O 1.214 -0.802 0 O-C-N 124.409 1.068 . . . . 66.09 112.855 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.6 t -84.96 -38.95 13.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 C-N-CA 123.07 0.548 . . . . 59.22 110.323 -167.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.81 -22.25 72.45 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 114.976 0.75 . . . . 68.24 114.976 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.1 p -90.93 -18.45 24.69 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 115.762 -0.219 . . . . 81.24 111.475 -172.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.04 177.41 4.66 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.749 1.388 . . . . 92.8 114.749 174.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -109.4 145.3 36.35 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 112.595 -2.093 . . . . 104.54 106.198 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -134.01 159.73 39.87 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 107.56 -1.274 . . . . 75.68 107.56 -175.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.9 -41.68 6.73 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.811 1.319 . . . . 82.71 108.488 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.8 mt -127.92 139.56 52.52 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 119.454 -0.898 . . . . 80.12 113.131 -168.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.15 -40.05 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 122.743 1.258 . . . . 64.16 108.939 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -46.26 -46.59 17.94 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 112.992 -1.913 . . . . 71.63 110.808 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.635 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 0.4 OUTLIER -66.86 -51.83 50.87 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.841 1.656 . . . . 95.29 107.783 -177.585 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 62.8 t -50.79 -50.78 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 107.837 -1.172 . . . . 55.2 107.837 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.61 -50.39 74.05 Favored 'General case' 0 CA--C 1.515 -0.398 0 C-N-CA 119.442 -0.903 . . . . 51.07 109.84 -173.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -54.8 -46.03 74.43 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 124.181 0.926 . . . . 69.6 112.546 -178.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 74' ' ' ARG . 35.9 mt-10 -76.01 -33.27 59.67 Favored 'General case' 0 CA--C 1.498 -1.054 0 N-CA-C 110.046 -0.353 . . . . 69.31 110.046 -173.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.9 t -69.35 -43.86 80.72 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 119.18 -1.008 . . . . 50.54 112.2 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.41 -46.11 76.66 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 118.444 0.565 . . . . 55.95 111.037 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -67.36 -52.19 43.13 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.272 0.629 . . . . 92.43 110.355 -173.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 4.6 tt -47.18 -41.36 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.872 -1.058 . . . . 70.44 113.464 170.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.91 -42.04 77.37 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.763 1.764 . . . . 65.28 115.763 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.81 -32.56 74.11 Favored 'General case' 0 C--O 1.249 1.05 0 O-C-N 123.682 0.614 . . . . 78.48 112.639 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -84.7 -40.71 17.03 Favored 'General case' 0 CA--C 1.489 -1.392 0 C-N-CA 120.117 -0.633 . . . . 86.92 111.033 -171.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -100.43 -11.81 19.9 Favored 'General case' 0 N--CA 1.425 -1.71 0 O-C-N 125.59 1.806 . . . . 115.09 108.777 -158.823 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -121.77 -5.72 9.12 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 119.358 -0.937 . . . . 79.98 112.733 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 37.85 63.28 0.81 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 114.512 1.301 . . . . 87.62 114.512 -167.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.2 t -95.62 135.93 22.73 Favored Pre-proline 0 C--O 1.251 1.162 0 N-CA-C 103.163 -2.903 . . . . 68.4 103.163 165.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.59 -23.36 57.1 Favored 'Trans proline' 0 CA--C 1.556 1.616 0 C-N-CA 123.439 2.759 . . . . 68.88 114.256 177.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -161.15 142.73 11.84 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 121.627 -0.67 . . . . 65.85 110.176 -176.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.95 149.8 33.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.057 -0.974 . . . . 53.89 110.055 173.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -124.35 120.35 31.87 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 107.004 -1.48 . . . . 75.4 107.004 164.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 mm -114.16 121.54 66.5 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.34 0 N-CA-C 106.973 -1.491 . . . . 50.37 106.973 -175.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -106.03 120.01 40.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.072 -1.455 . . . . 50.81 107.072 168.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.8 t -108.85 120.74 60.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.717 0 N-CA-C 106.403 -1.703 . . . . 41.57 106.403 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.0 m -110.97 143.88 40.96 Favored 'General case' 0 C--O 1.249 1.077 0 N-CA-C 108.088 -1.078 . . . . 41.59 108.088 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -120.06 87.88 39.87 Favored Pre-proline 0 CA--C 1.549 0.93 0 N-CA-C 106.896 -1.52 . . . . 75.08 106.896 168.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -70.15 138.32 36.31 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 O-C-N 122.522 0.748 . . . . 55.18 113.125 -170.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 61.68 22.49 61.92 Favored Glycine 0 CA--C 1.541 1.681 0 CA-C-O 117.779 -1.567 . . . . 64.02 113.783 -173.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.76 -30.58 70.88 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-N 120.548 2.174 . . . . 57.78 107.145 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 97.6 t -114.1 120.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 114.169 -1.378 . . . . 50.79 111.133 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -36.48 63.28 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 113.853 1.057 . . . . 50.42 113.853 -175.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -88.6 1.64 54.6 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.8 0.667 . . . . 52.08 112.8 -173.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -125.78 160.65 29.26 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 123.248 0.619 . . . . 42.43 109.879 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -81.32 -32.25 33.14 Favored 'General case' 0 C--O 1.255 1.376 0 CA-C-O 123.296 1.522 . . . . 75.66 108.057 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -168.44 152.49 5.89 Favored 'General case' 0 C--O 1.256 1.419 0 CA-C-N 113.764 -1.562 . . . . 55.38 112.348 -164.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.79 162.59 4.14 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 N-CA-C 107.126 -1.435 . . . . 46.36 107.126 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 158.72 -155.41 26.46 Favored Glycine 0 C--O 1.248 0.999 0 C-N-CA 119.853 -1.165 . . . . 45.32 113.085 176.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.2 m -133.33 149.23 31.11 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 CA-C-O 120.861 0.362 . . . . 49.18 110.596 -176.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.4 mt -123.17 131.64 72.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 CA-C-N 116.524 -0.307 . . . . 47.17 110.246 166.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.4 pt -135.15 146.3 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.876 0.87 . . . . 51.47 112.724 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -114.73 138.27 50.92 Favored 'General case' 0 C--O 1.245 0.863 0 CA-C-O 121.587 0.708 . . . . 68.25 109.833 166.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -135.34 153.17 51.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.849 -1.069 . . . . 63.11 109.048 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 82.94 -155.49 33.27 Favored Glycine 0 N--CA 1.486 1.978 0 N-CA-C 108.78 -1.728 . . . . 79.47 108.78 -168.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.978 0 N-CA-C 117.642 2.46 . . . . 110.32 117.642 176.428 . . . . . . . . 1 1 . 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 stop_ save_