data_1tym_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 1tym _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.899 0 CA-C-O 116.395 -2.336 . . . . 34.210000000000001 108.921 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.7 tt -56.55 -44.7 81.38 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 127.139 2.317 . . . . 34.240000000000002 116.98 -175.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -59.65 -48.44 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 124.432 2.063 . . . . 35.789999999999999 112.948 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -49.53 77.18 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 115.626 -2.131 . . . . 46.939999999999998 109.732 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . 0.778 ' OE1' ' O ' ' A' ' 24' ' ' HOH . 22.0 mt-30 -63.35 -53.4 53.15 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 126.536 2.397 . . . . 45.789999999999999 116.298 -179.622 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 m -104.7 -12.09 16.53 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 120.374 3.472 . . . . 38.619999999999997 120.374 -175.86 -51.233 -39.232 -69.182 104.955 2.008 103.933 160.556 -93.456 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -104.5 -60.72 1.55 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.891 -1.892 . . . . 35.869999999999997 105.891 178.512 168.24 55.806 93.807 107.05 2.024 107.384 -71.859 -68.235 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.4 16.9 m -58.66 -43.77 89.96 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 116.615 -1.659 . . . . 41.560000000000002 111.033 -179.025 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.28 60.4 p -121.97 -162.73 1.01 Allowed 'General case' 0 C--O 1.26 1.648 0 N-CA-C 105.343 -2.095 . . . . 45.039999999999999 105.343 175.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.04 138.04 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 115.881 1.808 . . . . 39.270000000000003 115.881 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.263 1.3 m -102.39 138.72 38.94 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 117.31 2.337 . . . . 42.060000000000002 117.31 -179.883 -93.456 160.556 -69.182 103.933 2.008 104.955 -39.232 -51.233 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.6 p -82.24 164.55 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.218 -2.141 . . . . 37.340000000000003 105.218 174.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.2 tp -51.63 -40.84 60.67 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.238 2.615 . . . . 35.479999999999997 109.39 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -63.55 -42.41 98.39 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-O 117.366 -1.302 . . . . 50.229999999999997 112.907 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -65.84 -41.16 92.09 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 126.252 2.22 . . . . 44.369999999999997 109.1 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.52 -36.73 76.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 127.409 3.481 . . . . 34.060000000000002 114.027 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -63.01 -19.96 64.85 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.17 -2.831 . . . . 44.560000000000002 115.161 -179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.87 -27.3 66.57 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 125.694 2.664 . . . . 32.149999999999999 110.221 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -93.7 6.24 48.99 Favored 'General case' 0 CA--C 1.486 -1.504 0 O-C-N 119.451 -2.03 . . . . 31.210000000000001 113.979 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.8 m -81.63 167.3 19.36 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 104.659 -2.349 . . . . 32.189999999999998 104.659 177.252 -53.644 -61.455 -74.857 99.84 2.024 109.396 -62.061 -57.325 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--N 1.277 -2.578 1 O-C-N 130.213 4.696 . . . . 42.280000000000001 104.557 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' B' ' 37' ' ' HOH . 5.8 t80 . . . . . 0 N--CA 1.523 3.181 0 CA-C-O 124.987 2.327 . . . . 33.899999999999999 110.081 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.96 149.64 5.73 Favored 'Isoleucine or valine' 0 C--O 1.258 1.521 0 O-C-N 117.973 -2.954 . . . . 34.469999999999999 104.944 179.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -115.61 83.04 1.86 Allowed 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 127.559 2.344 . . . . 45.210000000000001 105.267 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -163.23 169.85 18.6 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 114.584 -2.846 . . . . 48.259999999999998 115.418 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.33 122.96 18.68 Favored 'General case' 0 N--CA 1.497 1.876 1 O-C-N 129.297 4.123 . . . . 36.770000000000003 105.883 177.014 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.09 111.27 20.81 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 105.34 -2.096 . . . . 30.48 105.34 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 90.2 m -129.71 157.0 43.37 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 113.105 0.78 . . . . 33.490000000000002 113.105 -175.623 -68.235 -71.859 93.807 107.384 2.024 107.05 55.806 168.24 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.07 -133.08 52.69 Favored Glycine 0 CA--C 1.488 -1.651 0 N-CA-C 117.976 1.95 . . . . 31.420000000000002 117.976 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 56.9 p -70.67 -21.21 62.62 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 118.255 -2.909 . . . . 25.82 110.056 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -68.59 -40.66 80.41 Favored 'General case' 0 N--CA 1.514 2.762 1 O-C-N 130.19 4.681 . . . . 25.329999999999998 106.621 179.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.19 -54.17 50.01 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 128.234 3.459 . . . . 26.02 108.958 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.75 -47.31 74.16 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 118.508 -2.62 . . . . 29.739999999999998 112.521 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -36.32 82.65 Favored 'General case' 0 CA--C 1.561 1.393 1 CA-C-O 111.441 -4.124 . . . . 30.100000000000001 107.684 178.507 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -50.41 73.8 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 126.84 2.587 . . . . 21.91 106.247 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.68 -47.08 77.35 Favored 'General case' 0 C--O 1.274 2.378 0 O-C-N 127.163 2.79 . . . . 25.309999999999999 117.019 176.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -50.68 -51.1 52.61 Favored 'General case' 0 N--CA 1.419 -2.018 2 O-C-N 112.839 -6.163 . . . . 27.350000000000001 108.422 179.311 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.18 -54.19 23.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 127.115 2.76 . . . . 29.210000000000001 112.702 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.72 -38.59 82.7 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 O-C-N 125.504 1.753 . . . . 32.280000000000001 112.58 -176.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . 0.274 64.1 m -79.39 -22.15 44.71 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 112.516 -3.611 . . . . 32.990000000000002 117.672 -174.636 -57.325 -62.061 -74.857 109.396 2.024 99.84 -61.455 -53.644 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.88 -138.53 49.44 Favored Glycine 0 C--N 1.306 -1.121 1 O-C-N 129.138 4.024 . . . . 40.600000000000001 111.986 179.602 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . 0.569 ' OE1' ' O ' ' B' ' 58' ' ' HOH . 24.4 mt-10 -69.88 -15.04 63.01 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 126.658 1.983 . . . . 54.299999999999997 114.098 -177.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -68.52 -37.65 80.2 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 127.266 2.227 . . . . 50.789999999999999 111.842 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.65 -173.9 51.38 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 105.278 -3.129 . . . . 35.590000000000003 105.278 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -153.13 171.35 18.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.359 2.264 . . . . 25.989999999999998 112.654 -176.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.99 131.46 51.03 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 101.599 -3.482 . . . . 29.800000000000001 101.599 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -115.1 105.81 13.36 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.172 -1.047 . . . . 34.700000000000003 108.172 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.362 37.5 p -129.91 91.4 39.93 Favored Pre-proline 0 C--N 1.286 -2.161 0 CA-C-O 126.031 2.824 . . . . 37.880000000000003 107.705 -177.791 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.98 -18.81 8.69 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 124.162 3.241 . . . . 44.18 119.356 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.43 108.46 0.34 Allowed 'General case' 0 C--O 1.268 2.06 0 O-C-N 128.102 3.377 . . . . 55.530000000000001 113.645 -178.16 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.126 0 CA-C-N 114.333 -1.303 . . . . 51.460000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . 0.765 ' N ' ' OE1' ' C' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.54 1.647 0 N-CA-C 109.954 -1.259 . . . . 48.939999999999998 109.954 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.44 -38.38 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 126.292 1.819 . . . . 45.57 110.453 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . 0.344 86.1 t -66.3 -40.74 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 112.064 -2.335 . . . . 49.420000000000002 110.373 -178.527 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . 0.765 ' OE1' ' N ' ' C' ' 1' ' ' GLY . 3.1 mp0 -63.54 -49.34 73.85 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.778 1.231 . . . . 60.130000000000003 111.31 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -76.97 -44.94 29.32 Favored 'General case' 0 C--O 1.269 2.11 0 C-N-CA 128.637 2.775 . . . . 51.950000000000003 118.113 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -99.4 -0.62 40.56 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 119.882 3.289 . . . . 42.969999999999999 119.882 -176.109 -55.19 -51.937 -88.511 102.775 2.019 102.884 161.31 -70.815 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 97.8 m -92.12 -48.83 6.51 Favored 'General case' 0 C--O 1.264 1.848 0 O-C-N 125.055 1.472 . . . . 47.420000000000002 109.163 178.607 -69.654 -65.691 -94.928 105.807 2.016 99.719 -146.121 -173.373 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . 0.31 0.2 OUTLIER -52.76 -56.98 11.76 Favored 'General case' 0 C--N 1.3 -1.573 1 CA-C-O 128.645 4.069 . . . . 51.939999999999998 113.314 177.912 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p -128.3 154.66 45.68 Favored 'General case' 0 C--O 1.257 1.448 1 CA-C-N 107.11 -4.586 . . . . 51.68 106.777 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ILE . . . . . 0.681 ' O ' ' O ' ' C' ' 107' ' ' HOH . 0.0 OUTLIER -84.25 141.16 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 1 O-C-N 130.561 4.913 . . . . 47.619999999999997 109.369 -179.736 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 81.6 m -104.07 132.36 50.4 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 129.824 3.25 . . . . 37.75 108.383 179.539 -70.815 161.31 -88.511 102.884 2.019 102.775 -51.937 -55.19 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -75.19 168.14 20.56 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 115.383 -2.246 . . . . 30.309999999999999 108.531 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.78 -35.5 72.91 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 113.999 -2.905 . . . . 33.340000000000003 108.185 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -61.36 -44.83 96.5 Favored 'General case' 0 C--O 1.264 1.866 1 O-C-N 130.395 4.81 . . . . 39.350000000000001 110.645 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -65.74 -42.82 90.53 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 127.623 2.369 . . . . 33.149999999999999 111.132 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.6 -39.69 94.56 Favored 'General case' 0 C--O 1.261 1.673 0 CA-C-O 115.981 -1.962 . . . . 28.52 112.344 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.71 -24.82 23.8 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 113.944 -2.932 . . . . 43.020000000000003 113.406 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -56.56 -34.18 66.86 Favored 'General case' 0 C--N 1.267 -2.987 0 O-C-N 128.513 3.633 . . . . 36.280000000000001 109.393 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -88.05 -1.86 58.25 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 118.52 2.785 . . . . 33.859999999999999 118.52 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.06 156.73 35.82 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 128.862 2.865 . . . . 33.25 108.582 -179.64 -54.298 -58.415 -81.561 99.964 2.064 102.093 -52.643 -50.876 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 . . . . . 0 C--N 1.28 -2.416 0 CA-C-O 111.724 -3.989 . . . . 42.140000000000001 101.325 176.73 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 . . . . . 0 C--O 1.253 1.267 0 N-CA-C 105.535 -2.024 . . . . 43.369999999999997 105.535 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -68.39 -26.09 65.38 Favored 'General case' 0 N--CA 1.476 0.854 1 O-C-N 131.168 5.292 . . . . 46.289999999999999 109.691 -178.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -67.44 -49.56 63.14 Favored 'General case' 0 C--O 1.261 1.69 0 C-N-CA 115.913 -2.315 . . . . 35.18 110.012 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.96 -44.24 96.61 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 105.962 -1.866 . . . . 28.640000000000001 105.962 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.03 -46.91 78.68 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 122.67 1.224 . . . . 31.859999999999999 112.635 177.249 -173.373 -146.121 -94.928 99.719 2.016 105.807 -65.691 -69.654 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.07 -39.6 80.45 Favored Glycine 0 C--O 1.257 1.543 0 C-N-CA 124.067 0.841 . . . . 25.210000000000001 112.951 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -56.68 -45.71 81.56 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 120.334 -0.546 . . . . 28.420000000000002 111.756 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -67.2 -38.58 85.56 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.933 0.893 . . . . 28.469999999999999 111.767 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.13 -49.92 75.32 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-O 115.126 -2.369 . . . . 27.760000000000002 110.087 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . 0.274 11.0 m -60.49 -38.44 78.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 CA-C-N 123.772 2.987 . . . . 23.559999999999999 110.24 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -68.57 -36.11 78.32 Favored 'General case' 0 C--O 1.268 2.03 0 CA-C-O 116.778 -1.582 . . . . 42.82 111.547 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.24 79.87 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 128.499 3.624 . . . . 21.48 108.029 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -62.07 -41.14 97.86 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.989 0.899 . . . . 26.449999999999999 111.573 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -55.21 -46.75 75.92 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 120.839 -1.163 . . . . 31.34 110.971 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.46 -39.57 74.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 116.336 1.976 . . . . 22.859999999999999 116.336 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -73.95 -42.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 O-C-N 126.716 2.51 . . . . 26.699999999999999 111.804 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . 0.279 34.1 m -80.27 -31.37 38.35 Favored 'General case' 0 C--O 1.274 2.391 0 CA-C-O 117.355 -1.307 . . . . 28.27 110.779 -178.54 -50.876 -52.643 -81.561 102.093 2.064 99.964 -58.415 -54.298 2 2 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.09 -138.54 35.14 Favored Glycine 0 CA--C 1.553 2.421 0 CA-C-N 123.851 3.023 . . . . 33.020000000000003 108.115 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -58.47 -23.8 58.71 Favored 'General case' 0 C--O 1.268 2.047 0 N-CA-C 115.405 1.631 . . . . 51.899999999999999 115.405 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' D' ' 44' ' ' HOH . 40.4 mtp180 -63.09 -29.07 70.51 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 120.586 1.539 . . . . 45.549999999999997 110.96 177.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.9 -179.16 45.13 Favored Glycine 0 C--O 1.244 0.778 0 N-CA-C 108.297 -1.921 . . . . 33.670000000000002 108.297 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -163.22 163.1 25.61 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 126.106 2.86 . . . . 26.59 107.442 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -114.03 138.57 50.21 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 100.221 -3.992 . . . . 37.539999999999999 100.221 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -122.65 123.33 40.9 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 126.43 2.331 . . . . 38.810000000000002 107.837 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' D' ' 46' ' ' HOH . 0.1 OUTLIER -137.08 110.07 9.12 Favored Pre-proline 0 C--O 1.253 1.258 0 CA-C-O 125.8 2.714 . . . . 54.0 109.55 178.928 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -45.88 -23.12 1.54 Allowed 'Trans proline' 0 C--O 1.266 1.884 0 CA-C-N 110.574 -2.331 . . . . 61.450000000000003 112.443 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . . . -121.91 -135.28 0.3 Allowed 'General case' 0 C--O 1.255 1.378 0 CA-C-O 126.374 2.988 . . . . 64.519999999999996 114.469 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 O-C-N 117.288 -3.382 . . . . 64.230000000000004 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 100' ' ' TYL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . 0.778 ' O ' ' OE1' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . 0.423 ' O ' ' N ' ' B' ' 1' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' HOH . . . . . 0.569 ' O ' ' OE1' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . 0.681 ' O ' ' O ' ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' HOH . . . . . 0.599 ' O ' ' NH2' ' D' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' HOH . . . . . 0.489 ' O ' ' CG2' ' D' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 35' ' ' HOH . . . . . . . . 0 N--CA 1.499 2.899 0 CA-C-O 116.395 -2.336 . . . . 34.210000000000001 108.921 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 0.739 HD12 ' CD2' ' A' ' 19' ' ' TYR . 5.7 tt -56.55 -44.7 81.38 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 127.139 2.317 . . . . 34.240000000000002 116.98 -175.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -59.65 -48.44 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 124.432 2.063 . . . . 35.789999999999999 112.948 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . 0.643 ' HB3' ' O ' ' A' ' 36' ' ' HOH . 0.1 OUTLIER -60.49 -49.53 77.18 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 115.626 -2.131 . . . . 46.939999999999998 109.732 -179.642 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . 0.778 ' OE1' ' O ' ' A' ' 24' ' ' HOH . 22.0 mt-30 -63.35 -53.4 53.15 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 126.536 2.397 . . . . 45.789999999999999 116.298 -179.622 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 m -104.7 -12.09 16.53 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 120.374 3.472 . . . . 38.619999999999997 120.374 -175.86 -51.233 -39.232 -69.182 104.955 2.008 103.933 160.556 -93.456 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -104.5 -60.72 1.55 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.891 -1.892 . . . . 35.869999999999997 105.891 178.512 168.24 55.806 93.807 107.05 2.024 107.384 -71.859 -68.235 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.4 16.9 m -58.66 -43.77 89.96 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 116.615 -1.659 . . . . 41.560000000000002 111.033 -179.025 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.28 60.4 p -121.97 -162.73 1.01 Allowed 'General case' 0 C--O 1.26 1.648 0 N-CA-C 105.343 -2.095 . . . . 45.039999999999999 105.343 175.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.04 138.04 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 115.881 1.808 . . . . 39.270000000000003 115.881 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.263 1.3 m -102.39 138.72 38.94 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 117.31 2.337 . . . . 42.060000000000002 117.31 -179.883 -93.456 160.556 -69.182 103.933 2.008 104.955 -39.232 -51.233 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 91.6 p -82.24 164.55 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.218 -2.141 . . . . 37.340000000000003 105.218 174.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 0.605 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 43.2 tp -51.63 -40.84 60.67 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.238 2.615 . . . . 35.479999999999997 109.39 177.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -63.55 -42.41 98.39 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-O 117.366 -1.302 . . . . 50.229999999999997 112.907 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.84 -41.16 92.09 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 126.252 2.22 . . . . 44.369999999999997 109.1 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.52 -36.73 76.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 127.409 3.481 . . . . 34.060000000000002 114.027 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 18.1 mt-10 -63.01 -19.96 64.85 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.17 -2.831 . . . . 44.560000000000002 115.161 -179.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -59.87 -27.3 66.57 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 125.694 2.664 . . . . 32.149999999999999 110.221 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . 0.739 ' CD2' HD12 ' A' ' 2' ' ' ILE . 57.8 m-85 -93.7 6.24 48.99 Favored 'General case' 0 CA--C 1.486 -1.504 0 O-C-N 119.451 -2.03 . . . . 31.210000000000001 113.979 -179.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.8 m -81.63 167.3 19.36 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 104.659 -2.349 . . . . 32.189999999999998 104.659 177.252 -53.644 -61.455 -74.857 99.84 2.024 109.396 -62.061 -57.325 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--N 1.277 -2.578 1 O-C-N 130.213 4.696 . . . . 42.280000000000001 104.557 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.523 3.181 0 CA-C-O 124.987 2.327 . . . . 33.899999999999999 110.081 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . 0.741 HG22 ' HG2' ' B' ' 4' ' ' GLN . 6.7 p -58.96 149.64 5.73 Favored 'Isoleucine or valine' 0 C--O 1.258 1.521 0 O-C-N 117.973 -2.954 . . . . 34.469999999999999 104.944 179.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -115.61 83.04 1.86 Allowed 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 127.559 2.344 . . . . 45.210000000000001 105.267 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.741 ' HG2' HG22 ' B' ' 2' ' ' VAL . 1.5 pt20 -163.23 169.85 18.6 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 114.584 -2.846 . . . . 48.259999999999998 115.418 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.33 122.96 18.68 Favored 'General case' 0 N--CA 1.497 1.876 1 O-C-N 129.297 4.123 . . . . 36.770000000000003 105.883 177.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.09 111.27 20.81 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 105.34 -2.096 . . . . 30.48 105.34 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 90.2 m -129.71 157.0 43.37 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 113.105 0.78 . . . . 33.490000000000002 113.105 -175.623 -68.235 -71.859 93.807 107.384 2.024 107.05 55.806 168.24 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.07 -133.08 52.69 Favored Glycine 0 CA--C 1.488 -1.651 0 N-CA-C 117.976 1.95 . . . . 31.420000000000002 117.976 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 56.9 p -70.67 -21.21 62.62 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 118.255 -2.909 . . . . 25.82 110.056 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -68.59 -40.66 80.41 Favored 'General case' 0 N--CA 1.514 2.762 1 O-C-N 130.19 4.681 . . . . 25.329999999999998 106.621 179.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.19 -54.17 50.01 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 128.234 3.459 . . . . 26.02 108.958 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.75 -47.31 74.16 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 118.508 -2.62 . . . . 29.739999999999998 112.521 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.656 ' OE2' ' HG3' ' D' ' 13' ' ' GLU . 0.0 OUTLIER -66.3 -36.32 82.65 Favored 'General case' 0 CA--C 1.561 1.393 1 CA-C-O 111.441 -4.124 . . . . 30.100000000000001 107.684 178.507 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -50.41 73.8 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 126.84 2.587 . . . . 21.91 106.247 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.68 -47.08 77.35 Favored 'General case' 0 C--O 1.274 2.378 0 O-C-N 127.163 2.79 . . . . 25.309999999999999 117.019 176.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -50.68 -51.1 52.61 Favored 'General case' 0 N--CA 1.419 -2.018 2 O-C-N 112.839 -6.163 . . . . 27.350000000000001 108.422 179.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.18 -54.19 23.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 127.115 2.76 . . . . 29.210000000000001 112.702 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 17' ' ' GLU . 24.9 t -63.72 -38.59 82.7 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 O-C-N 125.504 1.753 . . . . 32.280000000000001 112.58 -176.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . 0.274 64.1 m -79.39 -22.15 44.71 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 112.516 -3.611 . . . . 32.990000000000002 117.672 -174.636 -57.325 -62.061 -74.857 109.396 2.024 99.84 -61.455 -53.644 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.88 -138.53 49.44 Favored Glycine 0 C--N 1.306 -1.121 1 O-C-N 129.138 4.024 . . . . 40.600000000000001 111.986 179.602 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.569 ' OE1' ' O ' ' B' ' 58' ' ' HOH . 24.4 mt-10 -69.88 -15.04 63.01 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 126.658 1.983 . . . . 54.299999999999997 114.098 -177.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -68.52 -37.65 80.2 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 127.266 2.227 . . . . 50.789999999999999 111.842 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.65 -173.9 51.38 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 105.278 -3.129 . . . . 35.590000000000003 105.278 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -153.13 171.35 18.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.359 2.264 . . . . 25.989999999999998 112.654 -176.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.99 131.46 51.03 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 101.599 -3.482 . . . . 29.800000000000001 101.599 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -115.1 105.81 13.36 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.172 -1.047 . . . . 34.700000000000003 108.172 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.362 37.5 p -129.91 91.4 39.93 Favored Pre-proline 0 C--N 1.286 -2.161 0 CA-C-O 126.031 2.824 . . . . 37.880000000000003 107.705 -177.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.98 -18.81 8.69 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 124.162 3.241 . . . . 44.18 119.356 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 0.995 ' HA ' ' HE2' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -53.43 108.46 0.34 Allowed 'General case' 0 C--O 1.268 2.06 0 O-C-N 128.102 3.377 . . . . 55.530000000000001 113.645 -178.16 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.126 0 CA-C-N 114.333 -1.303 . . . . 51.460000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . 0.75 ' N ' ' OE1' ' C' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.54 1.647 0 N-CA-C 109.954 -1.259 . . . . 48.939999999999998 109.954 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.44 -38.38 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 126.292 1.819 . . . . 45.57 110.453 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . 0.344 86.1 t -66.3 -40.74 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 112.064 -2.335 . . . . 49.420000000000002 110.373 -178.527 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . 0.75 ' OE1' ' N ' ' C' ' 1' ' ' GLY . 3.1 mp0 -63.54 -49.34 73.85 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.778 1.231 . . . . 60.130000000000003 111.31 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -76.97 -44.94 29.32 Favored 'General case' 0 C--O 1.269 2.11 0 C-N-CA 128.637 2.775 . . . . 51.950000000000003 118.113 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -99.4 -0.62 40.56 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 119.882 3.289 . . . . 42.969999999999999 119.882 -176.109 -55.19 -51.937 -88.511 102.775 2.019 102.884 161.31 -70.815 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 97.8 m -92.12 -48.83 6.51 Favored 'General case' 0 C--O 1.264 1.848 0 O-C-N 125.055 1.472 . . . . 47.420000000000002 109.163 178.607 -69.654 -65.691 -94.928 105.807 2.016 99.719 -146.121 -173.373 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . 0.31 0.2 OUTLIER -52.76 -56.98 11.76 Favored 'General case' 0 C--N 1.3 -1.573 1 CA-C-O 128.645 4.069 . . . . 51.939999999999998 113.314 177.912 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p -128.3 154.66 45.68 Favored 'General case' 0 C--O 1.257 1.448 1 CA-C-N 107.11 -4.586 . . . . 51.68 106.777 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ILE . . . . . 0.681 ' O ' ' O ' ' C' ' 107' ' ' HOH . 0.0 OUTLIER -84.25 141.16 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 1 O-C-N 130.561 4.913 . . . . 47.619999999999997 109.369 -179.736 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 11' ' ' CYS . . . . . 0.42 ' O ' ' H5 ' ' C' ' 100' ' ' TYL . 81.6 m -104.07 132.36 50.4 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 129.824 3.25 . . . . 37.75 108.383 179.539 -70.815 161.31 -88.511 102.884 2.019 102.775 -51.937 -55.19 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -75.19 168.14 20.56 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 115.383 -2.246 . . . . 30.309999999999999 108.531 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.78 -35.5 72.91 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 113.999 -2.905 . . . . 33.340000000000003 108.185 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -61.36 -44.83 96.5 Favored 'General case' 0 C--O 1.264 1.866 1 O-C-N 130.395 4.81 . . . . 39.350000000000001 110.645 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' C' ' 18' ' ' ASN . 75.2 mt-30 -65.74 -42.82 90.53 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 127.623 2.369 . . . . 33.149999999999999 111.132 178.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.6 -39.69 94.56 Favored 'General case' 0 C--O 1.261 1.673 0 CA-C-O 115.981 -1.962 . . . . 28.52 112.344 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.71 -24.82 23.8 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 113.944 -2.932 . . . . 43.020000000000003 113.406 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' C' ' 15' ' ' GLN . 76.7 m-20 -56.56 -34.18 66.86 Favored 'General case' 0 C--N 1.267 -2.987 0 O-C-N 128.513 3.633 . . . . 36.280000000000001 109.393 178.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -88.05 -1.86 58.25 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 118.52 2.785 . . . . 33.859999999999999 118.52 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.06 156.73 35.82 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 128.862 2.865 . . . . 33.25 108.582 -179.64 -54.298 -58.415 -81.561 99.964 2.064 102.093 -52.643 -50.876 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 . . . . . 0 C--N 1.28 -2.416 0 CA-C-O 111.724 -3.989 . . . . 42.140000000000001 101.325 176.73 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 . . . . . 0 C--O 1.253 1.267 0 N-CA-C 105.535 -2.024 . . . . 43.369999999999997 105.535 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -68.39 -26.09 65.38 Favored 'General case' 0 N--CA 1.476 0.854 1 O-C-N 131.168 5.292 . . . . 46.289999999999999 109.691 -178.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -67.44 -49.56 63.14 Favored 'General case' 0 C--O 1.261 1.69 0 C-N-CA 115.913 -2.315 . . . . 35.18 110.012 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.96 -44.24 96.61 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 105.962 -1.866 . . . . 28.640000000000001 105.962 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.03 -46.91 78.68 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 122.67 1.224 . . . . 31.859999999999999 112.635 177.249 -173.373 -146.121 -94.928 99.719 2.016 105.807 -65.691 -69.654 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.07 -39.6 80.45 Favored Glycine 0 C--O 1.257 1.543 0 C-N-CA 124.067 0.841 . . . . 25.210000000000001 112.951 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -56.68 -45.71 81.56 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 120.334 -0.546 . . . . 28.420000000000002 111.756 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -67.2 -38.58 85.56 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.933 0.893 . . . . 28.469999999999999 111.767 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.13 -49.92 75.32 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-O 115.126 -2.369 . . . . 27.760000000000002 110.087 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . 0.274 11.0 m -60.49 -38.44 78.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 CA-C-N 123.772 2.987 . . . . 23.559999999999999 110.24 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . 0.656 ' HG3' ' OE2' ' B' ' 13' ' ' GLU . 91.6 mt-10 -68.57 -36.11 78.32 Favored 'General case' 0 C--O 1.268 2.03 0 CA-C-O 116.778 -1.582 . . . . 42.82 111.547 177.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.24 79.87 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 128.499 3.624 . . . . 21.48 108.029 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -62.07 -41.14 97.86 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.989 0.899 . . . . 26.449999999999999 111.573 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -55.21 -46.75 75.92 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 120.839 -1.163 . . . . 31.34 110.971 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.46 -39.57 74.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 116.336 1.976 . . . . 22.859999999999999 116.336 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -73.95 -42.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 O-C-N 126.716 2.51 . . . . 26.699999999999999 111.804 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . 0.279 34.1 m -80.27 -31.37 38.35 Favored 'General case' 0 C--O 1.274 2.391 0 CA-C-O 117.355 -1.307 . . . . 28.27 110.779 -178.54 -50.876 -52.643 -81.561 102.093 2.064 99.964 -58.415 -54.298 2 2 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.09 -138.54 35.14 Favored Glycine 0 CA--C 1.553 2.421 0 CA-C-N 123.851 3.023 . . . . 33.020000000000003 108.115 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -58.47 -23.8 58.71 Favored 'General case' 0 C--O 1.268 2.047 0 N-CA-C 115.405 1.631 . . . . 51.899999999999999 115.405 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' D' ' 44' ' ' HOH . 40.4 mtp180 -63.09 -29.07 70.51 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 120.586 1.539 . . . . 45.549999999999997 110.96 177.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.9 -179.16 45.13 Favored Glycine 0 C--O 1.244 0.778 0 N-CA-C 108.297 -1.921 . . . . 33.670000000000002 108.297 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -163.22 163.1 25.61 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 126.106 2.86 . . . . 26.59 107.442 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -114.03 138.57 50.21 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 100.221 -3.992 . . . . 37.539999999999999 100.221 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -122.65 123.33 40.9 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 126.43 2.331 . . . . 38.810000000000002 107.837 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' THR . . . . . 0.745 HG23 ' O ' ' D' ' 46' ' ' HOH . 0.1 OUTLIER -137.08 110.07 9.12 Favored Pre-proline 0 C--O 1.253 1.258 0 CA-C-O 125.8 2.714 . . . . 54.0 109.55 178.928 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 28' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' D' ' 27' ' ' THR . 81.6 Cg_exo -45.88 -23.12 1.54 Allowed 'Trans proline' 0 C--O 1.266 1.884 0 CA-C-N 110.574 -2.331 . . . . 61.450000000000003 112.443 179.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . . . -121.91 -135.28 0.3 Allowed 'General case' 0 C--O 1.255 1.378 0 CA-C-O 126.374 2.988 . . . . 64.519999999999996 114.469 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 O-C-N 117.288 -3.382 . . . . 64.230000000000004 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 100' ' ' TYL . . . . . 0.42 ' H5 ' ' O ' ' C' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . 0.778 ' O ' ' OE1' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . 0.629 ' O ' ' HA2' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . 0.643 ' O ' ' HB3' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 58' ' ' HOH . . . . . 0.569 ' O ' ' OE1' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . 0.681 ' O ' ' O ' ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 44' ' ' HOH . . . . . 0.599 ' O ' ' NH2' ' D' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 46' ' ' HOH . . . . . 0.745 ' O ' HG23 ' D' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 35' ' ' HOH . . . . . . . . 0 N--CA 1.499 2.899 0 CA-C-O 116.395 -2.336 . . . . 34.21 108.921 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.739 HD12 ' CD2' ' A' ' 19' ' ' TYR . 5.7 tt -56.55 -44.7 81.38 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 127.139 2.317 . . . . 34.24 116.98 -175.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 68.6 t -59.65 -48.44 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-O 124.432 2.063 . . . . 35.79 112.948 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.643 ' HB3' ' O ' ' A' ' 36' ' ' HOH . 0.1 OUTLIER -60.49 -49.53 77.18 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 115.626 -2.131 . . . . 46.94 109.732 -179.642 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.778 ' OE1' ' O ' ' A' ' 24' ' ' HOH . 22.0 mt-30 -63.35 -53.4 53.15 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 126.536 2.397 . . . . 45.79 116.298 -179.622 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 m -104.7 -12.09 16.53 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 120.374 3.472 . . . . 38.62 120.374 -175.86 -51.233 -39.232 -69.182 104.955 2.008 103.933 160.556 -93.456 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -104.5 -60.72 1.55 Allowed 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.891 -1.892 . . . . 35.87 105.891 178.512 168.24 55.806 93.807 107.05 2.024 107.384 -71.859 -68.235 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.4 16.9 m -58.66 -43.77 89.96 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 116.615 -1.659 . . . . 41.56 111.033 -179.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.28 60.4 p -121.97 -162.73 1.01 Allowed 'General case' 0 C--O 1.26 1.648 0 N-CA-C 105.343 -2.095 . . . . 45.04 105.343 175.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -116.04 138.04 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 N-CA-C 115.881 1.808 . . . . 39.27 115.881 -179.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.263 1.3 m -102.39 138.72 38.94 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 117.31 2.337 . . . . 42.06 117.31 -179.883 -93.456 160.556 -69.182 103.933 2.008 104.955 -39.232 -51.233 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . 0.942 ' H ' HE21 ' A' ' 15' ' ' GLN . 91.6 p -82.24 164.55 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 105.218 -2.141 . . . . 37.34 105.218 174.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.605 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 43.2 tp -51.63 -40.84 60.67 Favored 'General case' 0 C--N 1.291 -1.946 0 C-N-CA 128.238 2.615 . . . . 35.48 109.39 177.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -63.55 -42.41 98.39 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-O 117.366 -1.302 . . . . 50.23 112.907 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.942 HE21 ' H ' ' A' ' 12' ' ' SER . 30.7 mt-30 -65.84 -41.16 92.09 Favored 'General case' 0 C--N 1.311 -1.086 0 O-C-N 126.252 2.22 . . . . 44.37 109.1 176.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.52 -36.73 76.65 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 127.409 3.481 . . . . 34.06 114.027 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.605 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 18.1 mt-10 -63.01 -19.96 64.85 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 118.17 -2.831 . . . . 44.56 115.161 -179.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -59.87 -27.3 66.57 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 125.694 2.664 . . . . 32.15 110.221 175.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.739 ' CD2' HD12 ' A' ' 2' ' ' ILE . 57.8 m-85 -93.7 6.24 48.99 Favored 'General case' 0 CA--C 1.486 -1.504 0 O-C-N 119.451 -2.03 . . . . 31.21 113.979 -179.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.8 m -81.63 167.3 19.36 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 104.659 -2.349 . . . . 32.19 104.659 177.252 -53.644 -61.455 -74.857 99.84 2.024 109.396 -62.061 -57.325 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 . . . . . 0 C--N 1.277 -2.578 1 O-C-N 130.213 4.696 . . . . 42.28 104.557 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.523 3.181 0 CA-C-O 124.987 2.327 . . . . 33.9 110.081 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.741 HG22 ' HG2' ' B' ' 4' ' ' GLN . 6.7 p -58.96 149.64 5.73 Favored 'Isoleucine or valine' 0 C--O 1.258 1.521 0 O-C-N 117.973 -2.954 . . . . 34.47 104.944 179.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -115.61 83.04 1.86 Allowed 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 127.559 2.344 . . . . 45.21 105.267 178.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.741 ' HG2' HG22 ' B' ' 2' ' ' VAL . 1.5 pt20 -163.23 169.85 18.6 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 114.584 -2.846 . . . . 48.26 115.418 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.33 122.96 18.68 Favored 'General case' 0 N--CA 1.497 1.876 1 O-C-N 129.297 4.123 . . . . 36.77 105.883 177.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.09 111.27 20.81 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 105.34 -2.096 . . . . 30.48 105.34 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 90.2 m -129.71 157.0 43.37 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 113.105 0.78 . . . . 33.49 113.105 -175.623 -68.235 -71.859 93.807 107.384 2.024 107.05 55.806 168.24 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.07 -133.08 52.69 Favored Glycine 0 CA--C 1.488 -1.651 0 N-CA-C 117.976 1.95 . . . . 31.42 117.976 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 56.9 p -70.67 -21.21 62.62 Favored 'General case' 0 CA--C 1.555 1.157 0 O-C-N 118.255 -2.909 . . . . 25.82 110.056 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -68.59 -40.66 80.41 Favored 'General case' 0 N--CA 1.514 2.762 1 O-C-N 130.19 4.681 . . . . 25.33 106.621 179.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.19 -54.17 50.01 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 128.234 3.459 . . . . 26.02 108.958 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.75 -47.31 74.16 Favored 'Isoleucine or valine' 0 C--N 1.364 1.198 0 O-C-N 118.508 -2.62 . . . . 29.74 112.521 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.656 ' OE2' ' HG3' ' D' ' 13' ' ' GLU . 0.0 OUTLIER -66.3 -36.32 82.65 Favored 'General case' 0 CA--C 1.561 1.393 1 CA-C-O 111.441 -4.124 . . . . 30.1 107.684 178.507 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.42 -50.41 73.8 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 126.84 2.587 . . . . 21.91 106.247 179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 84.9 mt -55.68 -47.08 77.35 Favored 'General case' 0 C--O 1.274 2.378 0 O-C-N 127.163 2.79 . . . . 25.31 117.019 176.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -50.68 -51.1 52.61 Favored 'General case' 0 N--CA 1.419 -2.018 2 O-C-N 112.839 -6.163 . . . . 27.35 108.422 179.311 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.18 -54.19 23.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 127.115 2.76 . . . . 29.21 112.702 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 17' ' ' GLU . 24.9 t -63.72 -38.59 82.7 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.967 0 O-C-N 125.504 1.753 . . . . 32.28 112.58 -176.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . 0.274 64.1 m -79.39 -22.15 44.71 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 112.516 -3.611 . . . . 32.99 117.672 -174.636 -57.325 -62.061 -74.857 109.396 2.024 99.84 -61.455 -53.644 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.88 -138.53 49.44 Favored Glycine 0 C--N 1.306 -1.121 1 O-C-N 129.138 4.024 . . . . 40.6 111.986 179.602 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.569 ' OE1' ' O ' ' B' ' 58' ' ' HOH . 24.4 mt-10 -69.88 -15.04 63.01 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 126.658 1.983 . . . . 54.3 114.098 -177.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 53.6 mtm180 -68.52 -37.65 80.2 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 127.266 2.227 . . . . 50.79 111.842 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.65 -173.9 51.38 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 105.278 -3.129 . . . . 35.59 105.278 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -153.13 171.35 18.58 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 127.359 2.264 . . . . 25.99 112.654 -176.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -126.99 131.46 51.03 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 101.599 -3.482 . . . . 29.8 101.599 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -115.1 105.81 13.36 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.172 -1.047 . . . . 34.7 108.172 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . 0.362 37.5 p -129.91 91.4 39.93 Favored Pre-proline 0 C--N 1.286 -2.161 0 CA-C-O 126.031 2.824 . . . . 37.88 107.705 -177.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -80.98 -18.81 8.69 Favored 'Trans proline' 0 C--O 1.258 1.52 0 C-N-CA 124.162 3.241 . . . . 44.18 119.356 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.995 ' HE2' ' HA ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -53.43 108.46 0.34 Allowed 'General case' 0 C--O 1.268 2.06 0 O-C-N 128.102 3.377 . . . . 55.53 113.645 -178.16 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.126 0 CA-C-N 114.333 -1.303 . . . . 51.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.75 ' N ' ' OE1' ' C' ' 4' ' ' GLU . . . . . . . . 0 CA--C 1.54 1.647 0 N-CA-C 109.954 -1.259 . . . . 48.94 109.954 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.8 tt -60.44 -38.38 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 O-C-N 126.292 1.819 . . . . 45.57 110.453 -178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . 0.344 86.1 t -66.3 -40.74 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 112.064 -2.335 . . . . 49.42 110.373 -178.527 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.75 ' OE1' ' N ' ' C' ' 1' ' ' GLY . 3.1 mp0 -63.54 -49.34 73.85 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 124.778 1.231 . . . . 60.13 111.31 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -76.97 -44.94 29.32 Favored 'General case' 0 C--O 1.269 2.11 0 C-N-CA 128.637 2.775 . . . . 51.95 118.113 -178.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 59.3 m -99.4 -0.62 40.56 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 119.882 3.289 . . . . 42.97 119.882 -176.109 -55.19 -51.937 -88.511 102.775 2.019 102.884 161.31 -70.815 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 97.8 m -92.12 -48.83 6.51 Favored 'General case' 0 C--O 1.264 1.848 0 O-C-N 125.055 1.472 . . . . 47.42 109.163 178.607 -69.654 -65.691 -94.928 105.807 2.016 99.719 -146.121 -173.373 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . 0.31 0.2 OUTLIER -52.76 -56.98 11.76 Favored 'General case' 0 C--N 1.3 -1.573 1 CA-C-O 128.645 4.069 . . . . 51.94 113.314 177.912 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p -128.3 154.66 45.68 Favored 'General case' 0 C--O 1.257 1.448 1 CA-C-N 107.11 -4.586 . . . . 51.68 106.777 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.681 ' O ' ' O ' ' C' ' 107' ' ' HOH . 0.0 OUTLIER -84.25 141.16 15.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 1 O-C-N 130.561 4.913 . . . . 47.62 109.369 -179.736 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.42 ' O ' ' H5 ' ' C' ' 100' ' ' TYL . 81.6 m -104.07 132.36 50.4 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 129.824 3.25 . . . . 37.75 108.383 179.539 -70.815 161.31 -88.511 102.884 2.019 102.775 -51.937 -55.19 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 91.1 p -75.19 168.14 20.56 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 115.383 -2.246 . . . . 30.31 108.531 176.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.78 -35.5 72.91 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-O 113.999 -2.905 . . . . 33.34 108.185 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -61.36 -44.83 96.5 Favored 'General case' 0 C--O 1.264 1.866 1 O-C-N 130.395 4.81 . . . . 39.35 110.645 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' C' ' 18' ' ' ASN . 75.2 mt-30 -65.74 -42.82 90.53 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 127.623 2.369 . . . . 33.15 111.132 178.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.6 -39.69 94.56 Favored 'General case' 0 C--O 1.261 1.673 0 CA-C-O 115.981 -1.962 . . . . 28.52 112.344 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.71 -24.82 23.8 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 113.944 -2.932 . . . . 43.02 113.406 177.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' C' ' 15' ' ' GLN . 76.7 m-20 -56.56 -34.18 66.86 Favored 'General case' 0 C--N 1.267 -2.987 0 O-C-N 128.513 3.633 . . . . 36.28 109.393 178.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -88.05 -1.86 58.25 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 118.52 2.785 . . . . 33.86 118.52 -178.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.06 156.73 35.82 Favored 'General case' 0 N--CA 1.432 -1.356 0 C-N-CA 128.862 2.865 . . . . 33.25 108.582 -179.64 -54.298 -58.415 -81.561 99.964 2.064 102.093 -52.643 -50.876 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.442 HD22 ' HA ' ' C' ' 21' ' ' ASN . 8.0 m120 . . . . . 0 C--N 1.28 -2.416 0 CA-C-O 111.724 -3.989 . . . . 42.14 101.325 176.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 . . . . . 0 C--O 1.253 1.267 0 N-CA-C 105.535 -2.024 . . . . 43.37 105.535 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -68.39 -26.09 65.38 Favored 'General case' 0 N--CA 1.476 0.854 1 O-C-N 131.168 5.292 . . . . 46.29 109.691 -178.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -67.44 -49.56 63.14 Favored 'General case' 0 C--O 1.261 1.69 0 C-N-CA 115.913 -2.315 . . . . 35.18 110.012 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.96 -44.24 96.61 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 105.962 -1.866 . . . . 28.64 105.962 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.03 -46.91 78.68 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 122.67 1.224 . . . . 31.86 112.635 177.249 -173.373 -146.121 -94.928 99.719 2.016 105.807 -65.691 -69.654 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.07 -39.6 80.45 Favored Glycine 0 C--O 1.257 1.543 0 C-N-CA 124.067 0.841 . . . . 25.21 112.951 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 13.7 m -56.68 -45.71 81.56 Favored 'General case' 0 C--N 1.372 1.581 0 C-N-CA 120.334 -0.546 . . . . 28.42 111.756 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -67.2 -38.58 85.56 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.933 0.893 . . . . 28.47 111.767 178.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 mt -61.13 -49.92 75.32 Favored 'General case' 0 N--CA 1.513 2.694 0 CA-C-O 115.126 -2.369 . . . . 27.76 110.087 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . 0.274 11.0 m -60.49 -38.44 78.07 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.33 0 CA-C-N 123.772 2.987 . . . . 23.56 110.24 178.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.656 ' HG3' ' OE2' ' B' ' 13' ' ' GLU . 91.6 mt-10 -68.57 -36.11 78.32 Favored 'General case' 0 C--O 1.268 2.03 0 CA-C-O 116.778 -1.582 . . . . 42.82 111.547 177.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.24 79.87 Favored 'General case' 0 C--N 1.286 -2.169 0 O-C-N 128.499 3.624 . . . . 21.48 108.029 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 24.8 mt -62.07 -41.14 97.86 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.989 0.899 . . . . 26.45 111.573 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -55.21 -46.75 75.92 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 120.839 -1.163 . . . . 31.34 110.971 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.46 -39.57 74.21 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 116.336 1.976 . . . . 22.86 116.336 178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -73.95 -42.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.521 0 O-C-N 126.716 2.51 . . . . 26.7 111.804 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . 0.279 34.1 m -80.27 -31.37 38.35 Favored 'General case' 0 C--O 1.274 2.391 0 CA-C-O 117.355 -1.307 . . . . 28.27 110.779 -178.54 -50.876 -52.643 -81.561 102.093 2.064 99.964 -58.415 -54.298 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 53.09 -138.54 35.14 Favored Glycine 0 CA--C 1.553 2.421 0 CA-C-N 123.851 3.023 . . . . 33.02 108.115 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -58.47 -23.8 58.71 Favored 'General case' 0 C--O 1.268 2.047 0 N-CA-C 115.405 1.631 . . . . 51.9 115.405 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' D' ' 44' ' ' HOH . 40.4 mtp180 -63.09 -29.07 70.51 Favored 'General case' 0 C--O 1.254 1.338 0 CA-C-N 120.586 1.539 . . . . 45.55 110.96 177.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.9 -179.16 45.13 Favored Glycine 0 C--O 1.244 0.778 0 N-CA-C 108.297 -1.921 . . . . 33.67 108.297 -179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -163.22 163.1 25.61 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 126.106 2.86 . . . . 26.59 107.442 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -114.03 138.57 50.21 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 100.221 -3.992 . . . . 37.54 100.221 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -122.65 123.33 40.9 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 126.43 2.331 . . . . 38.81 107.837 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' THR . . . . . 0.745 HG23 ' O ' ' D' ' 46' ' ' HOH . 0.1 OUTLIER -137.08 110.07 9.12 Favored Pre-proline 0 C--O 1.253 1.258 0 CA-C-O 125.8 2.714 . . . . 54.0 109.55 178.928 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' D' ' 27' ' ' THR . 81.6 Cg_exo -45.88 -23.12 1.54 Allowed 'Trans proline' 0 C--O 1.266 1.884 0 CA-C-N 110.574 -2.331 . . . . 61.45 112.443 179.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . . . -121.91 -135.28 0.3 Allowed 'General case' 0 C--O 1.255 1.378 0 CA-C-O 126.374 2.988 . . . . 64.52 114.469 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.019 0 O-C-N 117.288 -3.382 . . . . 64.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 100' ' ' TYL . . . . . 0.42 ' H5 ' ' O ' ' C' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . 0.778 ' O ' ' OE1' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . 0.629 ' O ' ' HA2' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . 0.643 ' O ' ' HB3' ' A' ' 4' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' HOH . . . . . 0.569 ' O ' ' OE1' ' B' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . 0.681 ' O ' ' O ' ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' HOH . . . . . 0.599 ' O ' ' NH2' ' D' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' HOH . . . . . 0.745 ' O ' HG23 ' D' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_