data_2c5i_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 2c5i _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 ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.498 1.972 0 N-CA-C 109.427 -0.583 . . . . 75.44 109.427 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -159.92 130.78 5.75 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.606 0.965 . . . . 75.49 113.606 -169.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -129.52 105.33 8.01 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 118.294 2.701 . . . . 68.3 118.294 -162.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -92.74 -16.3 25.61 Favored 'General case' 0 C--O 1.247 0.941 0 N-CA-C 117.822 2.527 . . . . 60.68 117.822 -167.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 12' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -80.55 142.98 33.61 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 107.636 -1.246 . . . . 54.59 107.636 -167.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 t -87.47 135.4 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.777 0.831 . . . . 51.35 110.483 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 14' ' ' SER . . . . . . . . . . . . . 24.8 p -77.27 138.4 39.37 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.811 -0.811 . . . . 55.52 108.811 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m 88.99 -5.09 0.44 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.805 1.642 . . . . 53.95 113.759 176.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 tp -69.96 -41.44 74.51 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.732 1.753 . . . . 48.81 115.732 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 17' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.09 -44.31 96.08 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 120.969 0.414 . . . . 45.97 110.246 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -62.49 -44.84 95.4 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.358 -0.839 . . . . 51.5 112.282 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 19' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -63.54 -37.58 87.87 Favored 'General case' 0 C--O 1.208 -1.082 0 C-N-CA 119.156 -1.018 . . . . 44.18 111.988 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.32 -40.85 92.08 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 118.74 -1.184 . . . . 43.55 110.792 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mtm105 -64.65 -40.04 94.75 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 112.463 0.542 . . . . 59.5 112.463 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -58.86 -45.14 90.84 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 113.162 0.801 . . . . 42.51 113.162 172.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -62.92 -42.8 99.91 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.113 -0.992 . . . . 43.81 109.338 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.71 -40.81 97.68 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.819 1.044 . . . . 46.77 113.819 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 25' ' ' ARG . . . . . 0.733 ' O ' ' O ' ' P' 2003 ' ' HOH . 43.6 mtt180 -64.11 -29.69 70.81 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 123.612 0.765 . . . . 62.53 112.265 176.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 26' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.03 -10.3 58.22 Favored 'General case' 0 C--O 1.187 -2.215 0 N-CA-C 113.654 0.983 . . . . 68.18 113.654 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 27' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -67.14 -25.2 66.06 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 114.323 1.231 . . . . 53.82 114.323 -162.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 28' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -98.93 -38.53 8.97 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 118.194 -0.908 . . . . 59.68 110.55 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -21.45 82.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.09 2.119 . . . . 68.09 115.63 170.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 N--CA 1.509 2.502 0 C-N-CA 124.628 1.171 . . . . 66.95 110.043 164.543 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 108.148 -1.056 . . . . 63.15 108.148 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -78.57 -32.3 2.22 Favored 'Trans proline' 0 C--N 1.365 1.436 0 O-C-N 123.156 1.082 . . . . 56.07 112.245 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.23 -52.89 56.53 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 123.047 0.539 . . . . 50.31 109.64 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 9' ' ' GLN . . . . . 0.456 ' OE1' ' NE2' ' T' ' 76' ' ' GLN . 20.4 mm100 -56.13 -29.4 60.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 118.883 -1.127 . . . . 54.2 113.232 175.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 122.354 1.073 . . . . 56.41 113.092 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 11' ' ' VAL . . . . . . . . . . . . . 31.4 t -69.2 -48.21 69.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 108.356 -0.979 . . . . 42.81 108.356 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -48.4 -42.33 11.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 C-N-CA 122.647 0.379 . . . . 43.31 111.786 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 13' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -73.79 -40.86 63.12 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 123.557 0.743 . . . . 49.23 111.964 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 14' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.13 -38.89 80.74 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.302 -0.874 . . . . 48.19 109.056 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -74.08 -51.22 16.4 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 123.836 0.854 . . . . 37.87 112.99 -170.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 16' ' ' LYS . . . . . 0.694 ' NZ ' ' OD1' ' T' ' 79' ' ' ASN . 8.9 mtpp -49.57 -48.17 48.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 123.935 0.772 . . . . 44.25 109.947 170.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -68.15 -34.04 75.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.657 1.354 . . . . 56.86 114.657 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.5 -47.66 78.08 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 121.331 0.586 . . . . 38.69 111.095 172.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 19' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.66 -46.93 80.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.363 -0.835 . . . . 35.49 111.895 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 114.632 1.345 . . . . 36.03 114.632 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -55.4 -38.76 69.33 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.591 1.33 . . . . 51.31 114.591 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 22' ' ' ILE . . . . . . . . . . . . . 77.4 mt -79.18 -36.03 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 108.636 -0.876 . . . . 34.78 108.636 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -59.6 -44.01 93.52 Favored 'General case' 0 C--O 1.195 -1.812 0 N-CA-C 115.633 1.716 . . . . 39.01 115.633 172.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 24' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -64.91 -40.14 94.61 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-O 118.479 -0.772 . . . . 42.34 110.513 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.01 -50.78 71.98 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 121.217 0.532 . . . . 48.58 111.505 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -52.56 -41.02 35.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 O-C-N 122.083 -0.385 . . . . 47.6 111.642 174.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 27' ' ' THR . . . . . . . . . . . . . 30.8 m -65.54 -38.7 90.37 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.23 -0.988 . . . . 56.09 113.35 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -78.86 -24.66 44.15 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.008 1.855 . . . . 75.29 116.008 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 29' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -125.04 55.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.709 -0.849 . . . . 69.17 108.709 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -28.17 -31.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 117.497 2.406 . . . . 77.92 117.497 169.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -82.94 126.4 32.46 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.556 -1.202 . . . . 78.94 108.747 -174.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 58.15 3.61 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.238 -0.892 . . . . 80.17 111.187 -170.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 33' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' T' ' 34' ' ' ASP . . . -98.51 -97.0 2.04 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 118.497 2.159 . . . . 79.86 118.497 -165.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 34' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' T' ' 33' ' ' GLY . 9.4 t0 -23.81 103.87 0.02 OUTLIER 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.906 1.282 . . . . 82.41 107.603 -177.69 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.34 -35.07 73.18 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.114 -0.494 . . . . 81.26 112.04 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 36' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -50.66 -68.61 0.16 Allowed 'General case' 0 C--O 1.227 -0.131 0 O-C-N 123.963 0.789 . . . . 76.18 109.539 169.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.93 -33.07 75.14 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.589 -0.445 . . . . 76.21 111.346 -173.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -55.46 -40.16 71.25 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.296 -0.561 . . . . 71.51 111.43 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -72.56 -49.1 34.89 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.739 -0.838 . . . . 62.18 108.739 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.46 -49.77 71.6 Favored 'General case' 0 C--O 1.203 -1.392 0 O-C-N 124.28 0.987 . . . . 54.61 110.816 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.39 -40.14 72.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 121.29 0.567 . . . . 43.86 112.504 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -68.88 -39.44 79.78 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 120.745 -1.222 . . . . 59.02 112.877 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 43' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -55.17 -53.49 55.29 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 125.177 1.391 . . . . 47.5 113.351 171.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 44' ' ' ILE . . . . . . . . . . . . . 76.1 mt -60.63 -43.66 95.25 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.089 0 O-C-N 121.435 -0.791 . . . . 38.4 110.937 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.87 -33.6 76.39 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 120.664 -1.272 . . . . 36.9 111.456 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -67.08 -45.29 77.75 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.002 -0.999 . . . . 38.09 111.008 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 47' ' ' ASP . . . . . . . . . . . . . 100.0 m-20 -55.17 -49.56 71.55 Favored 'General case' 0 N--CA 1.421 -1.912 0 C-N-CA 124.589 1.156 . . . . 41.22 109.594 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -55.83 -41.36 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 N-CA-C 115.641 1.719 . . . . 34.87 115.641 171.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 49' ' ' GLU . . . . . 0.626 ' OE1' ' NZ ' ' T' ' 88' ' ' LYS . 39.4 mt-10 -57.23 -37.44 72.27 Favored 'General case' 0 CA--C 1.492 -1.256 0 O-C-N 119.436 -2.04 . . . . 48.77 109.452 177.645 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 50' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -82.5 -37.29 25.47 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 124.558 1.161 . . . . 40.44 110.356 -172.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 51' ' ' THR . . . . . . . . . . . . . 38.4 m -54.05 -31.02 50.22 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 114.804 1.409 . . . . 37.6 114.804 168.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 123.113 0.565 . . . . 39.04 111.119 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -56.74 -40.1 68.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 CA-C-O 118.915 -0.564 . . . . 39.85 111.362 163.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 54' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.33 -60.7 3.33 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.012 1.278 . . . . 40.92 108.872 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -44.07 -49.03 8.98 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 115.441 1.645 . . . . 40.25 115.441 171.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.71 -37.9 83.24 Favored 'General case' 0 C--O 1.28 2.685 0 C-N-CA 119.313 -0.955 . . . . 52.71 112.416 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 57' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -67.59 -45.14 76.39 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.685 -1.143 . . . . 39.72 110.472 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 58' ' ' SER . . . . . . . . . . . . . 8.7 t -50.72 -48.93 58.7 Favored 'General case' 0 C--O 1.2 -1.519 0 O-C-N 124.854 1.346 . . . . 45.81 111.127 174.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 59' ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.51 -42.99 85.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.683 -0.635 . . . . 44.47 112.664 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 60' ' ' ILE . . . . . . . . . . . . . 62.6 mt -67.06 -47.77 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 120.0 -0.68 . . . . 49.69 111.535 -172.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 61' ' ' VAL . . . . . . . . . . . . . 23.2 m -70.53 -14.24 17.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 N-CA-C 113.6 0.963 . . . . 55.41 113.6 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 62' ' ' MSE . . . . . . . . . . . . . 0.0 OUTLIER -96.94 -0.67 47.17 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.47 1.285 . . . . 74.32 114.47 -177.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -59.57 -27.47 66.28 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 114.287 1.217 . . . . 67.34 114.287 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 64' ' ' ARG . . . . . . . . . . . . . 8.5 mtm105 -75.48 -21.8 57.76 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.448 -0.783 . . . . 71.25 112.419 176.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -66.34 110.79 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.808 1.29 . . . . 68.06 110.882 -169.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.23 -20.71 66.55 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 114.079 -1.419 . . . . 76.17 114.087 -167.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 67' ' ' ASN . . . . . 0.811 ' OD1' ' N ' ' T' ' 68' ' ' GLU . 30.6 p30 -76.83 -57.26 3.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 117.388 -1.725 . . . . 77.12 111.948 169.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 68' ' ' GLU . . . . . 0.811 ' N ' ' OD1' ' T' ' 67' ' ' ASN . 3.2 tt0 -45.73 140.16 3.62 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.326 1.451 . . . . 75.05 114.53 -155.351 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 69' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -89.34 72.61 8.06 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.005 -0.998 . . . . 71.19 111.647 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 70' ' ' VAL . . . . . . . . . . . . . 38.3 t -48.0 -66.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.361 -0.837 . . . . 69.94 111.508 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -37.07 46.13 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.417 1.266 . . . . 70.42 114.417 -177.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.9 -19.79 77.22 Favored Glycine 0 N--CA 1.486 2.01 0 CA-C-O 122.424 1.013 . . . . 66.9 115.461 172.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 73' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -94.04 -42.74 8.86 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 109.402 -0.592 . . . . 67.71 109.402 -177.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.25 -21.0 64.85 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 118.834 -1.147 . . . . 66.78 111.89 177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.83 71.29 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 109.335 -0.617 . . . . 56.32 109.335 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 76' ' ' GLN . . . . . 0.456 ' NE2' ' OE1' ' T' ' 9' ' ' GLN . 38.2 mt-30 -71.02 -24.01 62.28 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.299 0.851 . . . . 49.36 113.299 176.325 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.05 -42.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 109.821 -0.437 . . . . 44.77 109.821 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -48.4 -50.98 28.76 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 123.649 0.593 . . . . 51.11 111.882 168.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 79' ' ' ASN . . . . . 0.694 ' OD1' ' NZ ' ' T' ' 16' ' ' LYS . 28.6 t-20 -56.9 -42.85 80.62 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.369 0.877 . . . . 44.63 113.369 178.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 80' ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.16 -39.05 80.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 113.617 0.969 . . . . 38.83 113.617 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -57.62 -42.61 83.64 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 111.994 0.368 . . . . 43.19 111.994 170.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 82' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -63.26 -47.39 82.59 Favored 'General case' 0 C--O 1.247 0.927 0 N-CA-C 111.783 0.29 . . . . 41.96 111.783 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 83' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.95 -50.12 71.66 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.249 1.944 . . . . 36.33 116.249 172.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 84' ' ' LEU . . . . . . . . . . . . . 40.1 tp -55.86 -46.58 78.2 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.835 0.854 . . . . 34.26 111.719 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 85' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -69.11 -38.96 79.2 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 119.665 -0.814 . . . . 47.68 112.277 -177.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.03 -47.29 71.71 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 118.063 0.392 . . . . 36.28 111.407 170.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 87' ' ' LEU . . . . . . . . . . . . . 48.3 tp -73.54 -28.98 62.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 113.381 0.882 . . . . 35.77 113.381 -177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 88' ' ' LYS . . . . . 0.626 ' NZ ' ' OE1' ' T' ' 49' ' ' GLU . 78.6 mttt -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 119.814 -1.804 . . . . 38.59 109.27 178.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -49.73 66.07 Favored 'General case' 0 N--CA 1.419 -2.01 0 CA-C-N 114.917 -1.038 . . . . 35.95 109.94 175.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' T' T ' 90' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -55.15 -48.29 73.91 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 119.889 -0.724 . . . . 39.12 111.529 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 91' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -56.79 -51.94 66.99 Favored 'General case' 0 C--O 1.188 -2.137 0 O-C-N 125.187 1.554 . . . . 45.12 112.467 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 92' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.14 -48.66 80.8 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.008 0.822 . . . . 41.75 112.894 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 93' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -52.27 -49.18 64.63 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 122.177 0.191 . . . . 40.14 110.871 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.77 -44.58 90.68 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 114.308 1.225 . . . . 53.46 114.308 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 95' ' ' ILE . . . . . . . . . . . . . 36.2 mt -52.55 -37.04 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 N-CA-C 114.957 1.466 . . . . 48.09 114.957 172.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.43 -6.69 47.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.042 0.756 . . . . 57.54 113.042 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -99.39 149.88 22.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.438 -2.43 . . . . 63.93 104.438 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 98' ' ' SER . . . . . . . . . . . . . 33.9 m -52.95 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 118.324 2.712 . . . . 68.24 118.324 -137.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' T' T ' 99' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.244 0.81 0 CA-C-N 114.487 -1.233 . . . . 73.25 112.118 -146.031 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P 1031 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P 2003 ' ' HOH . . . . . 0.733 ' O ' ' O ' ' P' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' T' T 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.498 1.972 0 N-CA-C 109.427 -0.583 . . . . 75.439999999999998 109.427 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -159.92 130.78 5.75 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.606 0.965 . . . . 75.489999999999995 113.606 -169.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -129.52 105.33 8.01 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 118.294 2.701 . . . . 68.299999999999997 118.294 -162.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -92.74 -16.3 25.61 Favored 'General case' 0 C--O 1.247 0.941 0 N-CA-C 117.822 2.527 . . . . 60.68 117.822 -167.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 12' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -80.55 142.98 33.61 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 107.636 -1.246 . . . . 54.590000000000003 107.636 -167.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 t -87.47 135.4 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.777 0.831 . . . . 51.350000000000001 110.483 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 14' ' ' SER . . . . . . . . . . . . . 24.8 p -77.27 138.4 39.37 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.811 -0.811 . . . . 55.520000000000003 108.811 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m 88.99 -5.09 0.44 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.805 1.642 . . . . 53.950000000000003 113.759 176.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 16' ' ' LEU . . . . . 0.418 HD12 ' O ' ' P' ' 16' ' ' LEU . 2.4 tp -69.96 -41.44 74.51 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.732 1.753 . . . . 48.810000000000002 115.732 -175.213 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 17' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.09 -44.31 96.08 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 120.969 0.414 . . . . 45.969999999999999 110.246 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -62.49 -44.84 95.4 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.358 -0.839 . . . . 51.5 112.282 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 19' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -63.54 -37.58 87.87 Favored 'General case' 0 C--O 1.208 -1.082 0 C-N-CA 119.156 -1.018 . . . . 44.18 111.988 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.32 -40.85 92.08 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 118.74 -1.184 . . . . 43.549999999999997 110.792 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mtm105 -64.65 -40.04 94.75 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 112.463 0.542 . . . . 59.5 112.463 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -58.86 -45.14 90.84 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 113.162 0.801 . . . . 42.509999999999998 113.162 172.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -62.92 -42.8 99.91 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.113 -0.992 . . . . 43.810000000000002 109.338 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.71 -40.81 97.68 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.819 1.044 . . . . 46.770000000000003 113.819 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 25' ' ' ARG . . . . . 0.733 ' O ' ' O ' ' P' 2003 ' ' HOH . 43.6 mtt180 -64.11 -29.69 70.81 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 123.612 0.765 . . . . 62.530000000000001 112.265 176.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 26' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.03 -10.3 58.22 Favored 'General case' 0 C--O 1.187 -2.215 0 N-CA-C 113.654 0.983 . . . . 68.180000000000007 113.654 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 27' ' ' PHE . . . . . 0.671 ' CZ ' HG11 ' T' ' 61' ' ' VAL . 89.6 t80 -67.14 -25.2 66.06 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 114.323 1.231 . . . . 53.82 114.323 -162.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 28' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -98.93 -38.53 8.97 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 118.194 -0.908 . . . . 59.68 110.55 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -21.45 82.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.09 2.119 . . . . 68.090000000000003 115.63 170.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 N--CA 1.509 2.502 0 C-N-CA 124.628 1.171 . . . . 66.950000000000003 110.043 164.543 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 108.148 -1.056 . . . . 63.149999999999999 108.148 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -78.57 -32.3 2.22 Favored 'Trans proline' 0 C--N 1.365 1.436 0 O-C-N 123.156 1.082 . . . . 56.07 112.245 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.23 -52.89 56.53 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 123.047 0.539 . . . . 50.310000000000002 109.64 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 9' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -56.13 -29.4 60.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 118.883 -1.127 . . . . 54.200000000000003 113.232 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 122.354 1.073 . . . . 56.409999999999997 113.092 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 11' ' ' VAL . . . . . . . . . . . . . 31.4 t -69.2 -48.21 69.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 108.356 -0.979 . . . . 42.810000000000002 108.356 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -48.4 -42.33 11.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 C-N-CA 122.647 0.379 . . . . 43.310000000000002 111.786 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 13' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -73.79 -40.86 63.12 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 123.557 0.743 . . . . 49.229999999999997 111.964 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 14' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.13 -38.89 80.74 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.302 -0.874 . . . . 48.189999999999998 109.056 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -74.08 -51.22 16.4 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 123.836 0.854 . . . . 37.869999999999997 112.99 -170.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 16' ' ' LYS . . . . . 0.674 ' NZ ' ' OD1' ' T' ' 79' ' ' ASN . 8.9 mtpp -49.57 -48.17 48.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 123.935 0.772 . . . . 44.25 109.947 170.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -68.15 -34.04 75.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.657 1.354 . . . . 56.859999999999999 114.657 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.5 -47.66 78.08 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 121.331 0.586 . . . . 38.689999999999998 111.095 172.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 19' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.66 -46.93 80.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.363 -0.835 . . . . 35.490000000000002 111.895 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 20' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 114.632 1.345 . . . . 36.030000000000001 114.632 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -55.4 -38.76 69.33 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.591 1.33 . . . . 51.310000000000002 114.591 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 22' ' ' ILE . . . . . 0.428 HD11 HG21 ' T' ' 44' ' ' ILE . 77.4 mt -79.18 -36.03 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 108.636 -0.876 . . . . 34.780000000000001 108.636 -179.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -59.6 -44.01 93.52 Favored 'General case' 0 C--O 1.195 -1.812 0 N-CA-C 115.633 1.716 . . . . 39.009999999999998 115.633 172.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 24' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -64.91 -40.14 94.61 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-O 118.479 -0.772 . . . . 42.340000000000003 110.513 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.01 -50.78 71.98 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 121.217 0.532 . . . . 48.579999999999998 111.505 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 26' ' ' ILE . . . . . 0.41 HD12 HD11 ' T' ' 87' ' ' LEU . 82.5 mt -52.56 -41.02 35.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 O-C-N 122.083 -0.385 . . . . 47.600000000000001 111.642 174.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 27' ' ' THR . . . . . . . . . . . . . 30.8 m -65.54 -38.7 90.37 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.23 -0.988 . . . . 56.090000000000003 113.35 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 28' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' T' ' 28' ' ' ARG . 23.3 ttm180 -78.86 -24.66 44.15 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.008 1.855 . . . . 75.290000000000006 116.008 178.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 29' ' ' HIS . . . . . 0.551 ' HE1' ' O ' ' T' 2003 ' ' HOH . 45.9 m80 -125.04 55.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.709 -0.849 . . . . 69.170000000000002 108.709 -177.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -28.17 -31.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 117.497 2.406 . . . . 77.920000000000002 117.497 169.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -82.94 126.4 32.46 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.556 -1.202 . . . . 78.939999999999998 108.747 -174.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 58.15 3.61 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.238 -0.892 . . . . 80.170000000000002 111.187 -170.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 33' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' T' ' 34' ' ' ASP . . . -98.51 -97.0 2.04 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 118.497 2.159 . . . . 79.859999999999999 118.497 -165.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 34' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' T' ' 33' ' ' GLY . 9.4 t0 -23.81 103.87 0.02 OUTLIER 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.906 1.282 . . . . 82.409999999999997 107.603 -177.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.34 -35.07 73.18 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.114 -0.494 . . . . 81.260000000000005 112.04 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 36' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -50.66 -68.61 0.16 Allowed 'General case' 0 C--O 1.227 -0.131 0 O-C-N 123.963 0.789 . . . . 76.180000000000007 109.539 169.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.93 -33.07 75.14 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.589 -0.445 . . . . 76.209999999999994 111.346 -173.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -55.46 -40.16 71.25 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.296 -0.561 . . . . 71.510000000000005 111.43 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -72.56 -49.1 34.89 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.739 -0.838 . . . . 62.18 108.739 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.46 -49.77 71.6 Favored 'General case' 0 C--O 1.203 -1.392 0 O-C-N 124.28 0.987 . . . . 54.609999999999999 110.816 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.39 -40.14 72.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 121.29 0.567 . . . . 43.859999999999999 112.504 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -68.88 -39.44 79.78 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 120.745 -1.222 . . . . 59.020000000000003 112.877 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 43' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -55.17 -53.49 55.29 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 125.177 1.391 . . . . 47.5 113.351 171.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 44' ' ' ILE . . . . . 0.428 HG21 HD11 ' T' ' 22' ' ' ILE . 76.1 mt -60.63 -43.66 95.25 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.089 0 O-C-N 121.435 -0.791 . . . . 38.399999999999999 110.937 179.066 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.87 -33.6 76.39 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 120.664 -1.272 . . . . 36.899999999999999 111.456 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -67.08 -45.29 77.75 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.002 -0.999 . . . . 38.090000000000003 111.008 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 47' ' ' ASP . . . . . . . . . . . . . 100.0 m-20 -55.17 -49.56 71.55 Favored 'General case' 0 N--CA 1.421 -1.912 0 C-N-CA 124.589 1.156 . . . . 41.219999999999999 109.594 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -55.83 -41.36 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 N-CA-C 115.641 1.719 . . . . 34.869999999999997 115.641 171.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -57.23 -37.44 72.27 Favored 'General case' 0 CA--C 1.492 -1.256 0 O-C-N 119.436 -2.04 . . . . 48.770000000000003 109.452 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 50' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -82.5 -37.29 25.47 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 124.558 1.161 . . . . 40.439999999999998 110.356 -172.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 51' ' ' THR . . . . . . . . . . . . . 38.4 m -54.05 -31.02 50.22 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 114.804 1.409 . . . . 37.600000000000001 114.804 168.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 123.113 0.565 . . . . 39.039999999999999 111.119 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -56.74 -40.1 68.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 CA-C-O 118.915 -0.564 . . . . 39.850000000000001 111.362 163.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 54' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.33 -60.7 3.33 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.012 1.278 . . . . 40.920000000000002 108.872 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -44.07 -49.03 8.98 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 115.441 1.645 . . . . 40.25 115.441 171.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.71 -37.9 83.24 Favored 'General case' 0 C--O 1.28 2.685 0 C-N-CA 119.313 -0.955 . . . . 52.710000000000001 112.416 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 57' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -67.59 -45.14 76.39 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.685 -1.143 . . . . 39.719999999999999 110.472 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 58' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' T' ' 62' ' ' MSE . 8.7 t -50.72 -48.93 58.7 Favored 'General case' 0 C--O 1.2 -1.519 0 O-C-N 124.854 1.346 . . . . 45.810000000000002 111.127 174.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 59' ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.51 -42.99 85.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.683 -0.635 . . . . 44.469999999999999 112.664 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 60' ' ' ILE . . . . . . . . . . . . . 62.6 mt -67.06 -47.77 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 120.0 -0.68 . . . . 49.689999999999998 111.535 -172.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 61' ' ' VAL . . . . . 0.671 HG11 ' CZ ' ' P' ' 27' ' ' PHE . 23.2 m -70.53 -14.24 17.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 N-CA-C 113.6 0.963 . . . . 55.409999999999997 113.6 177.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 62' ' ' MSE . . . . . 0.66 ' HE3' HH11 ' T' ' 73' ' ' ARG . 0.0 OUTLIER -96.94 -0.67 47.17 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.47 1.285 . . . . 74.319999999999993 114.47 -177.914 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' T' T ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -59.57 -27.47 66.28 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 114.287 1.217 . . . . 67.340000000000003 114.287 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 64' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' T' 2006 ' ' HOH . 8.5 mtm105 -75.48 -21.8 57.76 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.448 -0.783 . . . . 71.25 112.419 176.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -66.34 110.79 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.808 1.29 . . . . 68.060000000000002 110.882 -169.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.23 -20.71 66.55 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 114.079 -1.419 . . . . 76.170000000000002 114.087 -167.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 67' ' ' ASN . . . . . 0.811 ' OD1' ' N ' ' T' ' 68' ' ' GLU . 30.6 p30 -76.83 -57.26 3.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 117.388 -1.725 . . . . 77.120000000000005 111.948 169.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 68' ' ' GLU . . . . . 0.811 ' N ' ' OD1' ' T' ' 67' ' ' ASN . 3.2 tt0 -45.73 140.16 3.62 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.326 1.451 . . . . 75.049999999999997 114.53 -155.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 69' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -89.34 72.61 8.06 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.005 -0.998 . . . . 71.189999999999998 111.647 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 70' ' ' VAL . . . . . . . . . . . . . 38.3 t -48.0 -66.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.361 -0.837 . . . . 69.939999999999998 111.508 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -37.07 46.13 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.417 1.266 . . . . 70.420000000000002 114.417 -177.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 72' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' T' ' 76' ' ' GLN . . . -70.9 -19.79 77.22 Favored Glycine 0 N--CA 1.486 2.01 0 CA-C-O 122.424 1.013 . . . . 66.900000000000006 115.461 172.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 73' ' ' ARG . . . . . 0.66 HH11 ' HE3' ' T' ' 62' ' ' MSE . 60.5 mtt180 -94.04 -42.74 8.86 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 109.402 -0.592 . . . . 67.709999999999994 109.402 -177.145 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.25 -21.0 64.85 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 118.834 -1.147 . . . . 66.780000000000001 111.89 177.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.83 71.29 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 109.335 -0.617 . . . . 56.32 109.335 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 76' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' T' ' 72' ' ' GLY . 38.2 mt-30 -71.02 -24.01 62.28 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.299 0.851 . . . . 49.359999999999999 113.299 176.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.05 -42.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 109.821 -0.437 . . . . 44.770000000000003 109.821 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -48.4 -50.98 28.76 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 123.649 0.593 . . . . 51.109999999999999 111.882 168.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 79' ' ' ASN . . . . . 0.674 ' OD1' ' NZ ' ' T' ' 16' ' ' LYS . 28.6 t-20 -56.9 -42.85 80.62 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.369 0.877 . . . . 44.630000000000003 113.369 178.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 80' ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.16 -39.05 80.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 113.617 0.969 . . . . 38.829999999999998 113.617 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -57.62 -42.61 83.64 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 111.994 0.368 . . . . 43.189999999999998 111.994 170.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 82' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -63.26 -47.39 82.59 Favored 'General case' 0 C--O 1.247 0.927 0 N-CA-C 111.783 0.29 . . . . 41.960000000000001 111.783 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 83' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.95 -50.12 71.66 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.249 1.944 . . . . 36.329999999999998 116.249 172.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 84' ' ' LEU . . . . . . . . . . . . . 40.1 tp -55.86 -46.58 78.2 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.835 0.854 . . . . 34.259999999999998 111.719 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 85' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -69.11 -38.96 79.2 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 119.665 -0.814 . . . . 47.68 112.277 -177.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.03 -47.29 71.71 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 118.063 0.392 . . . . 36.280000000000001 111.407 170.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 87' ' ' LEU . . . . . 0.41 HD11 HD12 ' T' ' 26' ' ' ILE . 48.3 tp -73.54 -28.98 62.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 113.381 0.882 . . . . 35.770000000000003 113.381 -177.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 88' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 119.814 -1.804 . . . . 38.590000000000003 109.27 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -49.73 66.07 Favored 'General case' 0 N--CA 1.419 -2.01 0 CA-C-N 114.917 -1.038 . . . . 35.950000000000003 109.94 175.552 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 90' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -55.15 -48.29 73.91 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 119.889 -0.724 . . . . 39.119999999999997 111.529 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 91' ' ' PHE . . . . . 0.465 ' CE2' HD11 ' T' ' 95' ' ' ILE . 66.0 t80 -56.79 -51.94 66.99 Favored 'General case' 0 C--O 1.188 -2.137 0 O-C-N 125.187 1.554 . . . . 45.119999999999997 112.467 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 92' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.14 -48.66 80.8 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.008 0.822 . . . . 41.75 112.894 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 93' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -52.27 -49.18 64.63 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 122.177 0.191 . . . . 40.140000000000001 110.871 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.77 -44.58 90.68 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 114.308 1.225 . . . . 53.460000000000001 114.308 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 95' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' T' ' 91' ' ' PHE . 36.2 mt -52.55 -37.04 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 N-CA-C 114.957 1.466 . . . . 48.090000000000003 114.957 172.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.43 -6.69 47.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.042 0.756 . . . . 57.539999999999999 113.042 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -99.39 149.88 22.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.438 -2.43 . . . . 63.93 104.438 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T ' 98' ' ' SER . . . . . 0.637 ' HB3' HG22 ' T' ' 99' ' ' THR . 33.9 m -52.95 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 118.324 2.712 . . . . 68.239999999999995 118.324 -137.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' T' T ' 99' ' ' THR . . . . . 0.637 HG22 ' HB3' ' T' ' 98' ' ' SER . 7.3 t . . . . . 0 C--O 1.244 0.81 0 CA-C-N 114.487 -1.233 . . . . 73.25 112.118 -146.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P 1031 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P 2003 ' ' HOH . . . . . 0.733 ' O ' ' O ' ' P' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2003 ' ' HOH . . . . . 0.551 ' O ' ' HE1' ' T' ' 29' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2006 ' ' HOH . . . . . 0.561 ' O ' ' HB2' ' T' ' 64' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' T' T 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' T' T 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 8' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.498 1.972 0 N-CA-C 109.427 -0.583 . . . . 75.44 109.427 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 9' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -159.92 130.78 5.75 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.606 0.965 . . . . 75.49 113.606 -169.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 1.3 m -129.52 105.33 8.01 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 118.294 2.701 . . . . 68.3 118.294 -162.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -92.74 -16.3 25.61 Favored 'General case' 0 C--O 1.247 0.941 0 N-CA-C 117.822 2.527 . . . . 60.68 117.822 -167.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 12' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -80.55 142.98 33.61 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 107.636 -1.246 . . . . 54.59 107.636 -167.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 t -87.47 135.4 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.777 0.831 . . . . 51.35 110.483 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 14' ' ' SER . . . . . . . . . . . . . 24.8 p -77.27 138.4 39.37 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.811 -0.811 . . . . 55.52 108.811 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 15' ' ' SER . . . . . . . . . . . . . 68.7 m 88.99 -5.09 0.44 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.805 1.642 . . . . 53.95 113.759 176.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 16' ' ' LEU . . . . . 0.418 ' O ' HD12 ' P' ' 16' ' ' LEU . 2.4 tp -69.96 -41.44 74.51 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.732 1.753 . . . . 48.81 115.732 -175.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 17' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.09 -44.31 96.08 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 120.969 0.414 . . . . 45.97 110.246 172.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 18' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -62.49 -44.84 95.4 Favored 'General case' 0 C--N 1.316 -0.887 0 O-C-N 121.358 -0.839 . . . . 51.5 112.282 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 19' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -63.54 -37.58 87.87 Favored 'General case' 0 C--O 1.208 -1.082 0 C-N-CA 119.156 -1.018 . . . . 44.18 111.988 174.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -60.32 -40.85 92.08 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 118.74 -1.184 . . . . 43.55 110.792 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 mtm105 -64.65 -40.04 94.75 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 112.463 0.542 . . . . 59.5 112.463 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 22' ' ' LEU . . . . . . . . . . . . . 67.1 mt -58.86 -45.14 90.84 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 113.162 0.801 . . . . 42.51 113.162 172.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 23' ' ' LEU . . . . . . . . . . . . . 48.8 tp -62.92 -42.8 99.91 Favored 'General case' 0 C--O 1.251 1.152 0 O-C-N 121.113 -0.992 . . . . 43.81 109.338 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.71 -40.81 97.68 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.819 1.044 . . . . 46.77 113.819 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 25' ' ' ARG . . . . . 0.733 ' O ' ' O ' ' P' 2003 ' ' HOH . 43.6 mtt180 -64.11 -29.69 70.81 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 123.612 0.765 . . . . 62.53 112.265 176.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 26' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -70.03 -10.3 58.22 Favored 'General case' 0 C--O 1.187 -2.215 0 N-CA-C 113.654 0.983 . . . . 68.18 113.654 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 27' ' ' PHE . . . . . 0.671 ' CZ ' HG11 ' T' ' 61' ' ' VAL . 89.6 t80 -67.14 -25.2 66.06 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 114.323 1.231 . . . . 53.82 114.323 -162.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 28' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -98.93 -38.53 8.97 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 118.194 -0.908 . . . . 59.68 110.55 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -21.45 82.01 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 O-C-N 126.09 2.119 . . . . 68.09 115.63 170.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 tp . . . . . 0 N--CA 1.509 2.502 0 C-N-CA 124.628 1.171 . . . . 66.95 110.043 164.543 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 108.148 -1.056 . . . . 63.15 108.148 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -78.57 -32.3 2.22 Favored 'Trans proline' 0 C--N 1.365 1.436 0 O-C-N 123.156 1.082 . . . . 56.07 112.245 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -64.23 -52.89 56.53 Favored 'General case' 0 CA--C 1.494 -1.205 0 C-N-CA 123.047 0.539 . . . . 50.31 109.64 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 9' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -56.13 -29.4 60.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 118.883 -1.127 . . . . 54.2 113.232 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -70.32 -40.18 74.32 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 122.354 1.073 . . . . 56.41 113.092 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 11' ' ' VAL . . . . . . . . . . . . . 31.4 t -69.2 -48.21 69.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 108.356 -0.979 . . . . 42.81 108.356 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -48.4 -42.33 11.82 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.93 0 C-N-CA 122.647 0.379 . . . . 43.31 111.786 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 13' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -73.79 -40.86 63.12 Favored 'General case' 0 C--O 1.218 -0.603 0 C-N-CA 123.557 0.743 . . . . 49.23 111.964 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 14' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.13 -38.89 80.74 Favored 'General case' 0 CA--C 1.55 0.98 0 O-C-N 121.302 -0.874 . . . . 48.19 109.056 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 15' ' ' THR . . . . . . . . . . . . . 26.2 m -74.08 -51.22 16.4 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 123.836 0.854 . . . . 37.87 112.99 -170.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 16' ' ' LYS . . . . . 0.674 ' NZ ' ' OD1' ' T' ' 79' ' ' ASN . 8.9 mtpp -49.57 -48.17 48.83 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 123.935 0.772 . . . . 44.25 109.947 170.704 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -68.15 -34.04 75.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.657 1.354 . . . . 56.86 114.657 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 18' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.5 -47.66 78.08 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 121.331 0.586 . . . . 38.69 111.095 172.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 19' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.66 -46.93 80.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.363 -0.835 . . . . 35.49 111.895 175.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -62.4 -41.24 98.51 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 114.632 1.345 . . . . 36.03 114.632 177.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 21' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -55.4 -38.76 69.33 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.591 1.33 . . . . 51.31 114.591 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 22' ' ' ILE . . . . . 0.428 HD11 HG21 ' T' ' 44' ' ' ILE . 77.4 mt -79.18 -36.03 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 N-CA-C 108.636 -0.876 . . . . 34.78 108.636 -179.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 23' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -59.6 -44.01 93.52 Favored 'General case' 0 C--O 1.195 -1.812 0 N-CA-C 115.633 1.716 . . . . 39.01 115.633 172.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 24' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -64.91 -40.14 94.61 Favored 'General case' 0 CA--C 1.484 -1.573 0 CA-C-O 118.479 -0.772 . . . . 42.34 110.513 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.01 -50.78 71.98 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 121.217 0.532 . . . . 48.58 111.505 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 26' ' ' ILE . . . . . 0.41 HD12 HD11 ' T' ' 87' ' ' LEU . 82.5 mt -52.56 -41.02 35.64 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.956 0 O-C-N 122.083 -0.385 . . . . 47.6 111.642 174.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 27' ' ' THR . . . . . . . . . . . . . 30.8 m -65.54 -38.7 90.37 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 119.23 -0.988 . . . . 56.09 113.35 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 28' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' T' ' 28' ' ' ARG . 23.3 ttm180 -78.86 -24.66 44.15 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 116.008 1.855 . . . . 75.29 116.008 178.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 29' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -125.04 55.21 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.709 -0.849 . . . . 69.17 108.709 -177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -28.17 -31.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 117.497 2.406 . . . . 77.92 117.497 169.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -82.94 126.4 32.46 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-N 114.556 -1.202 . . . . 78.94 108.747 -174.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 58.15 3.61 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.238 -0.892 . . . . 80.17 111.187 -170.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 33' ' ' GLY . . . . . 0.492 ' O ' ' C ' ' T' ' 34' ' ' ASP . . . -98.51 -97.0 2.04 Favored Glycine 0 CA--C 1.532 1.105 0 N-CA-C 118.497 2.159 . . . . 79.86 118.497 -165.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 34' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' T' ' 33' ' ' GLY . 9.4 t0 -23.81 103.87 0.02 OUTLIER 'General case' 0 C--O 1.243 0.759 0 C-N-CA 124.906 1.282 . . . . 82.41 107.603 -177.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 35' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -59.34 -35.07 73.18 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.114 -0.494 . . . . 81.26 112.04 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 36' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -50.66 -68.61 0.16 Allowed 'General case' 0 C--O 1.227 -0.131 0 O-C-N 123.963 0.789 . . . . 76.18 109.539 169.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 37' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.93 -33.07 75.14 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 120.589 -0.445 . . . . 76.21 111.346 -173.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -55.46 -40.16 71.25 Favored 'General case' 0 C--N 1.311 -1.077 0 C-N-CA 120.296 -0.561 . . . . 71.51 111.43 172.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -72.56 -49.1 34.89 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.739 -0.838 . . . . 62.18 108.739 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.46 -49.77 71.6 Favored 'General case' 0 C--O 1.203 -1.392 0 O-C-N 124.28 0.987 . . . . 54.61 110.816 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.39 -40.14 72.51 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-O 121.29 0.567 . . . . 43.86 112.504 173.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -68.88 -39.44 79.78 Favored 'General case' 0 C--N 1.312 -1.05 0 O-C-N 120.745 -1.222 . . . . 59.02 112.877 178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 43' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -55.17 -53.49 55.29 Favored 'General case' 0 C--O 1.208 -1.13 0 C-N-CA 125.177 1.391 . . . . 47.5 113.351 171.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 44' ' ' ILE . . . . . 0.428 HG21 HD11 ' T' ' 22' ' ' ILE . 76.1 mt -60.63 -43.66 95.25 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.089 0 O-C-N 121.435 -0.791 . . . . 38.4 110.937 179.066 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -64.87 -33.6 76.39 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 120.664 -1.272 . . . . 36.9 111.456 -176.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -67.08 -45.29 77.75 Favored 'General case' 0 N--CA 1.432 -1.372 0 CA-C-N 115.002 -0.999 . . . . 38.09 111.008 175.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 47' ' ' ASP . . . . . . . . . . . . . 100.0 m-20 -55.17 -49.56 71.55 Favored 'General case' 0 N--CA 1.421 -1.912 0 C-N-CA 124.589 1.156 . . . . 41.22 109.594 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 48' ' ' VAL . . . . . . . . . . . . . 53.6 t -55.83 -41.36 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 N-CA-C 115.641 1.719 . . . . 34.87 115.641 171.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -57.23 -37.44 72.27 Favored 'General case' 0 CA--C 1.492 -1.256 0 O-C-N 119.436 -2.04 . . . . 48.77 109.452 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 50' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -82.5 -37.29 25.47 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 124.558 1.161 . . . . 40.44 110.356 -172.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 51' ' ' THR . . . . . . . . . . . . . 38.4 m -54.05 -31.02 50.22 Favored 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 114.804 1.409 . . . . 37.6 114.804 168.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 52' ' ' ILE . . . . . . . . . . . . . 71.4 mt -78.73 -37.21 20.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 123.113 0.565 . . . . 39.04 111.119 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -56.74 -40.1 68.08 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 CA-C-O 118.915 -0.564 . . . . 39.85 111.362 163.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 54' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.33 -60.7 3.33 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 120.012 1.278 . . . . 40.92 108.872 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 55' ' ' LEU . . . . . . . . . . . . . 87.0 mt -44.07 -49.03 8.98 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 115.441 1.645 . . . . 40.25 115.441 171.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 56' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.71 -37.9 83.24 Favored 'General case' 0 C--O 1.28 2.685 0 C-N-CA 119.313 -0.955 . . . . 52.71 112.416 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 57' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -67.59 -45.14 76.39 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.685 -1.143 . . . . 39.72 110.472 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 58' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' T' ' 62' ' ' MSE . 8.7 t -50.72 -48.93 58.7 Favored 'General case' 0 C--O 1.2 -1.519 0 O-C-N 124.854 1.346 . . . . 45.81 111.127 174.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 59' ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.51 -42.99 85.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 121.683 -0.635 . . . . 44.47 112.664 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 60' ' ' ILE . . . . . . . . . . . . . 62.6 mt -67.06 -47.77 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 120.0 -0.68 . . . . 49.69 111.535 -172.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 61' ' ' VAL . . . . . 0.671 HG11 ' CZ ' ' P' ' 27' ' ' PHE . 23.2 m -70.53 -14.24 17.91 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.132 0 N-CA-C 113.6 0.963 . . . . 55.41 113.6 177.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 62' ' ' MSE . . . . . 0.66 ' HE3' HH11 ' T' ' 73' ' ' ARG . 0.0 OUTLIER -96.94 -0.67 47.17 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 114.47 1.285 . . . . 74.32 114.47 -177.914 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' T' T ' 63' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -59.57 -27.47 66.28 Favored 'General case' 0 CA--C 1.557 1.237 0 N-CA-C 114.287 1.217 . . . . 67.34 114.287 -177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 64' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' T' 2006 ' ' HOH . 8.5 mtm105 -75.48 -21.8 57.76 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.448 -0.783 . . . . 71.25 112.419 176.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -66.34 110.79 3.2 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.808 1.29 . . . . 68.06 110.882 -169.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.23 -20.71 66.55 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 114.079 -1.419 . . . . 76.17 114.087 -167.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 67' ' ' ASN . . . . . 0.811 ' OD1' ' N ' ' T' ' 68' ' ' GLU . 30.6 p30 -76.83 -57.26 3.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 117.388 -1.725 . . . . 77.12 111.948 169.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 68' ' ' GLU . . . . . 0.811 ' N ' ' OD1' ' T' ' 67' ' ' ASN . 3.2 tt0 -45.73 140.16 3.62 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.326 1.451 . . . . 75.05 114.53 -155.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 69' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -89.34 72.61 8.06 Favored 'General case' 0 C--O 1.202 -1.445 0 CA-C-N 115.005 -0.998 . . . . 71.19 111.647 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 70' ' ' VAL . . . . . . . . . . . . . 38.3 t -48.0 -66.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 O-C-N 121.361 -0.837 . . . . 69.94 111.508 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -37.07 46.13 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.417 1.266 . . . . 70.42 114.417 -177.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 72' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' T' ' 76' ' ' GLN . . . -70.9 -19.79 77.22 Favored Glycine 0 N--CA 1.486 2.01 0 CA-C-O 122.424 1.013 . . . . 66.9 115.461 172.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 73' ' ' ARG . . . . . 0.66 HH11 ' HE3' ' T' ' 62' ' ' MSE . 60.5 mtt180 -94.04 -42.74 8.86 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 109.402 -0.592 . . . . 67.71 109.402 -177.145 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 74' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -68.25 -21.0 64.85 Favored 'General case' 0 N--CA 1.429 -1.511 0 C-N-CA 118.834 -1.147 . . . . 66.78 111.89 177.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.35 -35.83 71.29 Favored 'General case' 0 C--O 1.245 0.851 0 N-CA-C 109.335 -0.617 . . . . 56.32 109.335 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 76' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' T' ' 72' ' ' GLY . 38.2 mt-30 -71.02 -24.01 62.28 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.299 0.851 . . . . 49.36 113.299 176.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -82.05 -42.31 18.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 N-CA-C 109.821 -0.437 . . . . 44.77 109.821 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -48.4 -50.98 28.76 Favored 'General case' 0 C--O 1.251 1.178 0 O-C-N 123.649 0.593 . . . . 51.11 111.882 168.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 79' ' ' ASN . . . . . 0.674 ' OD1' ' NZ ' ' T' ' 16' ' ' LYS . 28.6 t-20 -56.9 -42.85 80.62 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 113.369 0.877 . . . . 44.63 113.369 178.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 80' ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.16 -39.05 80.64 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 113.617 0.969 . . . . 38.83 113.617 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -57.62 -42.61 83.64 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 111.994 0.368 . . . . 43.19 111.994 170.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 82' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -63.26 -47.39 82.59 Favored 'General case' 0 C--O 1.247 0.927 0 N-CA-C 111.783 0.29 . . . . 41.96 111.783 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 83' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -55.95 -50.12 71.66 Favored 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.249 1.944 . . . . 36.33 116.249 172.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 84' ' ' LEU . . . . . . . . . . . . . 40.1 tp -55.86 -46.58 78.2 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.835 0.854 . . . . 34.26 111.719 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 85' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -69.11 -38.96 79.2 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 119.665 -0.814 . . . . 47.68 112.277 -177.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.03 -47.29 71.71 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 118.063 0.392 . . . . 36.28 111.407 170.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 87' ' ' LEU . . . . . 0.41 HD11 HD12 ' T' ' 26' ' ' ILE . 48.3 tp -73.54 -28.98 62.17 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 113.381 0.882 . . . . 35.77 113.381 -177.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 88' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -67.28 -32.37 73.33 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 119.814 -1.804 . . . . 38.59 109.27 178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 89' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.29 -49.73 66.07 Favored 'General case' 0 N--CA 1.419 -2.01 0 CA-C-N 114.917 -1.038 . . . . 35.95 109.94 175.552 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 90' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -55.15 -48.29 73.91 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 119.889 -0.724 . . . . 39.12 111.529 179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 91' ' ' PHE . . . . . 0.465 ' CE2' HD11 ' T' ' 95' ' ' ILE . 66.0 t80 -56.79 -51.94 66.99 Favored 'General case' 0 C--O 1.188 -2.137 0 O-C-N 125.187 1.554 . . . . 45.12 112.467 177.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 92' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.14 -48.66 80.8 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.008 0.822 . . . . 41.75 112.894 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 93' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -52.27 -49.18 64.63 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 122.177 0.191 . . . . 40.14 110.871 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -58.77 -44.58 90.68 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 114.308 1.225 . . . . 53.46 114.308 -178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 95' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' T' ' 91' ' ' PHE . 36.2 mt -52.55 -37.04 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.512 0 N-CA-C 114.957 1.466 . . . . 48.09 114.957 172.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 96' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -73.43 -6.69 47.91 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.042 0.756 . . . . 57.54 113.042 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -99.39 149.88 22.72 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 104.438 -2.43 . . . . 63.93 104.438 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T ' 98' ' ' SER . . . . . 0.637 ' HB3' HG22 ' T' ' 99' ' ' THR . 33.9 m -52.95 -95.62 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 118.324 2.712 . . . . 68.24 118.324 -137.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' T' T ' 99' ' ' THR . . . . . 0.637 HG22 ' HB3' ' T' ' 98' ' ' SER . 7.3 t . . . . . 0 C--O 1.244 0.81 0 CA-C-N 114.487 -1.233 . . . . 73.25 112.118 -146.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P 1031 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P 2003 ' ' HOH . . . . . 0.733 ' O ' ' O ' ' P' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2006 ' ' HOH . . . . . 0.561 ' O ' ' HB2' ' T' ' 64' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' T' T 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' T' T 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_