data_6sib_residue ############################ # Computer software used # ############################ 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 6sib _Structure_validation_residue.Date_analyzed 2019-08-23 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 ' 9' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--O 1.251 1.153 0 N-CA-C 113.209 0.818 . . . . 105.07 113.209 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -71.05 -178.15 1.88 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.637 1.208 . . . . 67.19 109.567 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.48 91.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.338 -0.847 . . . . 43.86 111.687 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.84 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.031 -0.668 . . . . 40.75 110.193 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.84 -39.35 93.43 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 120.391 -0.524 . . . . 65.98 110.625 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -70.14 -36.72 74.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 117.846 -1.541 . . . . 49.53 110.686 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.65 -46.76 86.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.897 0.38 . . . . 31.13 110.53 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.6 -39.83 86.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 120.313 -0.555 . . . . 45.56 110.927 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -59.9 -39.66 86.12 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.053 -1.059 . . . . 54.69 110.649 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.94 78.69 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.358 -0.937 . . . . 38.22 111.029 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.11 -42.51 93.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.799 -0.637 . . . . 41.6 109.543 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.59 -39.18 64.82 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.463 -0.335 . . . . 59.44 111.144 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.7 m -55.65 -48.15 75.47 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.548 -0.861 . . . . 38.73 111.146 170.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.08 -47.03 84.64 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 119.78 -0.768 . . . . 50.68 110.057 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -54.72 -41.35 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.947 -1.101 . . . . 48.67 110.874 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.66 -53.78 17.04 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.989 -0.444 . . . . 56.09 111.43 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.7 t -57.92 -39.06 69.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.552 -0.459 . . . . 52.75 111.069 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -86.81 -1.97 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.353 -0.842 . . . . 60.1 113.195 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.25 39.84 95.1 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 114.867 0.707 . . . . 51.31 114.867 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.09 139.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 117.53 0.665 . . . . 47.86 109.772 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -72.51 159.07 34.53 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.846 0.831 . . . . 53.31 110.597 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.87 -38.16 78.16 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.043 -1.063 . . . . 60.17 111.237 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -72.75 -40.7 65.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.057 -1.057 . . . . 89.77 110.691 -176.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -71.32 -29.81 65.46 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 117.239 -1.785 . . . . 53.76 109.823 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.38 65.14 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.683 0.278 . . . . 39.25 111.115 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.88 -40.52 76.36 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.021 0.439 . . . . 61.93 111.246 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -73.49 -37.3 65.78 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.319 -0.401 . . . . 84.26 110.573 -176.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.64 -37.6 2.2 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 116.606 1.402 . . . . 50.35 116.606 -167.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.93 -32.21 1.47 Allowed Pre-proline 0 C--N 1.301 -1.504 0 C-N-CA 116.779 -1.968 . . . . 45.86 114.524 -167.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.86 -42.22 61.22 Favored 'Trans proline' 0 C--N 1.348 0.525 0 CA-C-N 121.365 1.523 . . . . 42.42 114.67 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.6 tp -71.0 -38.01 72.69 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.205 0.911 . . . . 64.16 111.919 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.1 -52.34 65.76 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 121.84 -0.537 . . . . 48.56 111.436 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -69.87 -31.73 69.72 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.363 -0.935 . . . . 43.05 112.073 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -58.63 -42.73 88.94 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.369 -0.932 . . . . 55.94 112.225 169.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -63.02 -45.45 92.25 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 121.962 -0.461 . . . . 65.39 112.151 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.29 -46.92 85.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 122.111 0.958 . . . . 33.83 110.046 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.94 96.49 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.692 -0.63 . . . . 32.71 111.459 -176.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.87 -46.43 91.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 O-C-N 122.181 -0.324 . . . . 43.56 110.772 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.98 -42.85 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 O-C-N 122.157 -0.339 . . . . 45.61 111.631 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -61.14 -50.65 72.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.755 -0.591 . . . . 41.44 111.283 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -61.67 -43.96 97.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.117 -0.492 . . . . 51.21 110.805 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 8.1 mtmt -58.08 -46.98 84.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.009 0.433 . . . . 68.93 111.465 178.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.62 -22.94 78.71 Favored Glycine 0 C--O 1.24 0.506 0 N-CA-C 114.491 0.557 . . . . 54.55 114.491 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.44 -46.98 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 117.83 0.815 . . . . 62.02 111.235 168.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . 0.581 HH11 ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.0 -18.27 65.31 Favored 'General case' 0 C--O 1.236 0.395 0 O-C-N 120.761 -1.212 . . . . 74.65 112.284 179.243 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 50' ' ' LYS . 21.4 mmt180 -89.69 -59.64 2.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 118.381 0.537 . . . . 99.02 111.777 178.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -120.9 -60.56 1.64 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.095 0.776 . . . . 81.61 113.095 -163.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 146.19 29.24 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.259 1.028 . . . . 70.79 111.88 -163.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -124.09 -10.8 7.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.065 -1.425 . . . . 81.25 110.78 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -132.16 167.88 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 124.112 0.965 . . . . 73.3 109.544 -174.91 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.11 -43.62 33.5 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.76 -0.655 . . . . 66.08 110.422 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.3 p -64.68 -31.78 73.15 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.315 -0.402 . . . . 101.16 111.551 176.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' HB2' ' OG1' ' A' ' 58' ' ' THR . 93.7 m-20 -79.33 -19.0 51.4 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.936 0.717 . . . . 69.9 112.936 176.758 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.35 -42.58 30.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.543 -0.863 . . . . 60.95 110.556 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 mt -58.81 -64.44 0.93 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.908 0.385 . . . . 59.63 111.26 171.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -48.13 -42.04 28.15 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.803 -0.759 . . . . 76.31 111.181 -177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.3 tp -54.43 -48.23 71.9 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.545 0.688 . . . . 82.14 112.02 -175.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.65 -39.11 87.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.347 -0.541 . . . . 62.04 110.193 -173.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -56.45 -61.46 2.4 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.755 0.312 . . . . 76.91 111.366 172.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -53.94 -22.98 11.42 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 122.048 -0.407 . . . . 62.31 111.599 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.7 -38.3 47.68 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.945 0.402 . . . . 61.7 111.365 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.29 70.84 2.75 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.002 -1.481 . . . . 55.36 107.002 170.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.6 p -98.15 148.79 34.99 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 114.224 -1.353 . . . . 78.88 110.814 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -63.54 -24.72 70.07 Favored 'Trans proline' 0 C--O 1.238 0.511 0 O-C-N 122.45 0.711 . . . . 81.23 113.812 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.084 -0.96 . . . . 84.37 109.366 -175.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--O 1.251 1.153 0 N-CA-C 113.209 0.818 . . . . 87.43 113.209 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -71.05 -178.15 1.88 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.637 1.208 . . . . 56.24 109.567 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.48 91.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.338 -0.847 . . . . 36.43 111.687 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.84 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.031 -0.668 . . . . 33.83 110.193 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.84 -39.35 93.43 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 120.391 -0.524 . . . . 65.98 110.625 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -70.14 -36.72 74.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 117.846 -1.541 . . . . 49.53 110.686 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.65 -46.76 86.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.897 0.38 . . . . 25.81 110.53 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.6 -39.83 86.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 120.313 -0.555 . . . . 37.84 110.927 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -59.9 -39.66 86.12 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.053 -1.059 . . . . 45.45 110.649 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.94 78.69 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.358 -0.937 . . . . 31.73 111.029 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.11 -42.51 93.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.799 -0.637 . . . . 34.54 109.543 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.59 -39.18 64.82 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.463 -0.335 . . . . 59.44 111.144 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.7 m -55.65 -48.15 75.47 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.548 -0.861 . . . . 36.49 111.146 170.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.08 -47.03 84.64 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 119.78 -0.768 . . . . 42.11 110.057 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -54.72 -41.35 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.947 -1.101 . . . . 40.43 110.874 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.66 -53.78 17.04 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.989 -0.444 . . . . 55.12 111.43 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.7 t -57.92 -39.06 69.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.552 -0.459 . . . . 46.47 111.069 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -86.81 -1.97 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.353 -0.842 . . . . 60.1 113.195 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.25 39.84 95.1 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 114.867 0.707 . . . . 45.77 114.867 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.09 139.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 117.53 0.665 . . . . 40.51 109.772 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -72.51 159.07 34.53 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.846 0.831 . . . . 44.3 110.597 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.87 -38.16 78.16 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.043 -1.063 . . . . 60.17 111.237 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -72.75 -40.7 65.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.057 -1.057 . . . . 74.68 110.691 -176.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -71.32 -29.81 65.46 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 117.239 -1.785 . . . . 46.01 109.823 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.38 65.14 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.683 0.278 . . . . 35.54 111.115 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.88 -40.52 76.36 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.021 0.439 . . . . 51.48 111.246 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -73.49 -37.3 65.78 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.319 -0.401 . . . . 70.09 110.573 -176.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.64 -37.6 2.2 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 116.606 1.402 . . . . 41.83 116.606 -167.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.93 -32.21 1.47 Allowed Pre-proline 0 C--N 1.301 -1.504 0 C-N-CA 116.779 -1.968 . . . . 38.09 114.524 -167.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.86 -42.22 61.22 Favored 'Trans proline' 0 C--N 1.348 0.525 0 CA-C-N 121.365 1.523 . . . . 35.36 114.67 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.6 tp -71.0 -38.01 72.69 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.205 0.911 . . . . 53.34 111.919 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.1 -52.34 65.76 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 121.84 -0.537 . . . . 40.34 111.436 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -69.87 -31.73 69.72 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.363 -0.935 . . . . 35.75 112.073 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -58.63 -42.73 88.94 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.369 -0.932 . . . . 46.49 112.225 169.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.8 m -63.02 -45.45 92.25 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 121.962 -0.461 . . . . 54.36 112.151 178.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.29 -46.92 85.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 122.111 0.958 . . . . 28.07 110.046 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.94 96.49 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.692 -0.63 . . . . 32.71 111.459 -176.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.87 -46.43 91.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 O-C-N 122.181 -0.324 . . . . 36.17 110.772 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 43' ' ' SER . 79.2 t -57.98 -42.85 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 O-C-N 122.157 -0.339 . . . . 37.88 111.631 177.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -61.14 -50.65 72.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.755 -0.591 . . . . 34.63 111.283 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -61.67 -43.96 97.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.117 -0.492 . . . . 42.55 110.805 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 8.1 mtmt -58.08 -46.98 84.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.009 0.433 . . . . 57.32 111.465 178.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.62 -22.94 78.71 Favored Glycine 0 C--O 1.24 0.506 0 N-CA-C 114.491 0.557 . . . . 54.37 114.491 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.44 -46.98 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 117.83 0.815 . . . . 54.72 111.235 168.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . 0.558 HH11 ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.0 -18.27 65.31 Favored 'General case' 0 C--O 1.236 0.395 0 O-C-N 120.761 -1.212 . . . . 64.64 112.284 179.243 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 50' ' ' LYS . 21.4 mmt180 -89.69 -59.64 2.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 118.381 0.537 . . . . 82.39 111.777 178.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -120.9 -60.56 1.64 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.095 0.776 . . . . 76.05 113.095 -163.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 146.19 29.24 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.259 1.028 . . . . 68.62 111.88 -163.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -124.09 -10.8 7.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.065 -1.425 . . . . 67.58 110.78 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.16 167.88 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 124.112 0.965 . . . . 60.95 109.544 -174.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.11 -43.62 33.5 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.76 -0.655 . . . . 60.34 110.422 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.3 p -64.68 -31.78 73.15 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.315 -0.402 . . . . 84.17 111.551 176.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -79.33 -19.0 51.4 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.936 0.717 . . . . 69.9 112.936 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.35 -42.58 30.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.543 -0.863 . . . . 51.47 110.556 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 mt -58.81 -64.44 0.93 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.908 0.385 . . . . 59.63 111.26 171.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -48.13 -42.04 28.15 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.803 -0.759 . . . . 63.47 111.181 -177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 110' ' ' HOH . 56.3 tp -54.43 -48.23 71.9 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.545 0.688 . . . . 68.33 112.02 -175.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.65 -39.11 87.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.347 -0.541 . . . . 51.58 110.193 -173.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -56.45 -61.46 2.4 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.755 0.312 . . . . 71.09 111.366 172.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -53.94 -22.98 11.42 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 122.048 -0.407 . . . . 59.69 111.599 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.7 -38.3 47.68 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.945 0.402 . . . . 51.29 111.365 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.29 70.84 2.75 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.002 -1.481 . . . . 54.29 107.002 170.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.6 p -98.15 148.79 34.99 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 114.224 -1.353 . . . . 65.61 110.814 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -63.54 -24.72 70.07 Favored 'Trans proline' 0 C--O 1.238 0.511 0 O-C-N 122.45 0.711 . . . . 67.56 113.812 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.084 -0.96 . . . . 72.29 109.366 -175.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . 0.49 ' O ' HD12 ' A' ' 65' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--O 1.251 1.153 0 N-CA-C 113.209 0.818 . . . . 87.43 113.209 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -71.05 -178.15 1.88 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 122.637 1.208 . . . . 56.24 109.567 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.48 91.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.338 -0.847 . . . . 36.43 111.687 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.84 -40.41 88.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.031 -0.668 . . . . 33.83 110.193 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -64.84 -39.35 93.43 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 120.391 -0.524 . . . . 65.98 110.625 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -70.14 -36.72 74.97 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 117.846 -1.541 . . . . 49.53 110.686 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -58.65 -46.76 86.46 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.897 0.38 . . . . 25.81 110.53 175.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.6 -39.83 86.81 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 120.313 -0.555 . . . . 37.84 110.927 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -59.9 -39.66 86.12 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 119.053 -1.059 . . . . 45.45 110.649 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.57 -48.94 78.69 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.358 -0.937 . . . . 31.73 111.029 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.3 t -61.11 -42.51 93.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.799 -0.637 . . . . 34.54 109.543 -177.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.59 -39.18 64.82 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.463 -0.335 . . . . 59.44 111.144 -176.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.7 m -55.65 -48.15 75.47 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 119.548 -0.861 . . . . 36.49 111.146 170.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.08 -47.03 84.64 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 119.78 -0.768 . . . . 42.11 110.057 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -54.72 -41.35 70.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 118.947 -1.101 . . . . 40.43 110.874 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.66 -53.78 17.04 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 121.989 -0.444 . . . . 55.12 111.43 -177.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.7 t -57.92 -39.06 69.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.552 -0.459 . . . . 46.47 111.069 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -86.81 -1.97 58.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.353 -0.842 . . . . 60.1 113.195 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.25 39.84 95.1 Favored Glycine 0 CA--C 1.509 -0.301 0 N-CA-C 114.867 0.707 . . . . 45.77 114.867 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -81.09 139.16 18.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 117.53 0.665 . . . . 40.51 109.772 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 p -72.51 159.07 34.53 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.846 0.831 . . . . 44.3 110.597 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -58.87 -38.16 78.16 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 119.043 -1.063 . . . . 60.17 111.237 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -72.75 -40.7 65.81 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 119.057 -1.057 . . . . 74.68 110.691 -176.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -71.32 -29.81 65.46 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 117.239 -1.785 . . . . 46.01 109.823 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.38 65.14 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 120.683 0.278 . . . . 35.54 111.115 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.88 -40.52 76.36 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 121.021 0.439 . . . . 51.48 111.246 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -73.49 -37.3 65.78 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.319 -0.401 . . . . 70.09 110.573 -176.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.64 -37.6 2.2 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 116.606 1.402 . . . . 41.83 116.606 -167.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 mt -73.93 -32.21 1.47 Allowed Pre-proline 0 C--N 1.301 -1.504 0 C-N-CA 116.779 -1.968 . . . . 38.09 114.524 -167.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -57.86 -42.22 61.22 Favored 'Trans proline' 0 C--N 1.348 0.525 0 CA-C-N 121.365 1.523 . . . . 35.36 114.67 174.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.6 tp -71.0 -38.01 72.69 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 119.205 0.911 . . . . 53.34 111.919 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.2 tp -60.1 -52.34 65.76 Favored 'General case' 0 C--O 1.238 0.456 0 O-C-N 121.84 -0.537 . . . . 40.34 111.436 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -69.87 -31.73 69.72 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.363 -0.935 . . . . 35.75 112.073 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -58.63 -42.73 88.94 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 119.369 -0.932 . . . . 46.49 112.225 169.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 47' ' ' VAL . 48.8 m -63.02 -45.45 92.25 Favored 'General case' 0 C--O 1.237 0.43 0 O-C-N 121.962 -0.461 . . . . 54.36 112.151 178.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.29 -46.92 85.23 Favored 'Isoleucine or valine' 0 C--O 1.243 0.746 0 CA-C-O 122.111 0.958 . . . . 28.07 110.046 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.94 96.49 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.692 -0.63 . . . . 32.71 111.459 -176.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.87 -46.43 91.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 O-C-N 122.181 -0.324 . . . . 36.17 110.772 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 43' ' ' SER . 79.2 t -57.98 -42.85 83.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.302 0 O-C-N 122.157 -0.339 . . . . 37.88 111.631 177.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -61.14 -50.65 72.33 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.755 -0.591 . . . . 34.63 111.283 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -61.67 -43.96 97.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.117 -0.492 . . . . 42.55 110.805 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 54' ' ' ARG . 8.1 mtmt -58.08 -46.98 84.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.009 0.433 . . . . 57.32 111.465 178.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -72.62 -22.94 78.71 Favored Glycine 0 C--O 1.24 0.506 0 N-CA-C 114.491 0.557 . . . . 54.37 114.491 -177.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.7 t -75.44 -46.98 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 117.83 0.815 . . . . 54.72 111.235 168.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.558 HH11 ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -67.0 -18.27 65.31 Favored 'General case' 0 C--O 1.236 0.395 0 O-C-N 120.761 -1.212 . . . . 64.64 112.284 179.243 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 50' ' ' LYS . 21.4 mmt180 -89.69 -59.64 2.15 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 118.381 0.537 . . . . 82.39 111.777 178.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -120.9 -60.56 1.64 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.095 0.776 . . . . 76.05 113.095 -163.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.24 146.19 29.24 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.259 1.028 . . . . 68.62 111.88 -163.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -124.09 -10.8 7.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.065 -1.425 . . . . 67.58 110.78 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.16 167.88 18.99 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 124.112 0.965 . . . . 60.95 109.544 -174.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 69.0 t-105 -77.11 -43.62 33.5 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.76 -0.655 . . . . 60.34 110.422 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.3 p -64.68 -31.78 73.15 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.315 -0.402 . . . . 84.17 111.551 176.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -79.33 -19.0 51.4 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 112.936 0.717 . . . . 69.9 112.936 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.35 -42.58 30.11 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.543 -0.863 . . . . 51.47 110.556 174.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 mt -58.81 -64.44 0.93 Allowed 'General case' 0 C--O 1.241 0.631 0 CA-C-O 120.908 0.385 . . . . 59.63 111.26 171.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -48.13 -42.04 28.15 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 119.803 -0.759 . . . . 63.47 111.181 -177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 110' ' ' HOH . 56.3 tp -54.43 -48.23 71.9 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.545 0.688 . . . . 68.33 112.02 -175.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.7 tp -60.65 -39.11 87.11 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.347 -0.541 . . . . 51.58 110.193 -173.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -56.45 -61.46 2.4 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.755 0.312 . . . . 71.09 111.366 172.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -53.94 -22.98 11.42 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 122.048 -0.407 . . . . 59.69 111.599 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -77.7 -38.3 47.68 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.945 0.402 . . . . 51.29 111.365 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -96.29 70.84 2.75 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 107.002 -1.481 . . . . 54.29 107.002 170.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.6 p -98.15 148.79 34.99 Favored Pre-proline 0 N--CA 1.451 -0.381 0 CA-C-N 114.224 -1.353 . . . . 65.61 110.814 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -63.54 -24.72 70.07 Favored 'Trans proline' 0 C--O 1.238 0.511 0 O-C-N 122.45 0.711 . . . . 67.56 113.812 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.084 -0.96 . . . . 72.29 109.366 -175.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . 0.49 ' O ' HD12 ' A' ' 65' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_