data_6mwb_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6mwb _Structure_validation_residue.Date_analyzed 2018-12-14 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' B' B 1999 ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.611 0.243 . . . . 146.44 111.014 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . . . -64.03 -44.15 93.4 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 117.361 -1.736 . . . . 162.88 107.766 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2001 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -43.73 95.95 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 122.223 1.011 . . . . 152.15 110.662 -178.78 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.53 -42.68 99.17 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 114.012 -1.449 . . . . 124.46 109.815 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.34 -36.2 68.75 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 116.315 -2.154 . . . . 111.85 111.558 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -52.53 -52.26 55.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.476 -0.49 . . . . 102.37 111.034 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2005 ' ' ILE . . . . . . . . . . . . . 1.9 pt -72.49 -23.36 21.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.672 -0.811 . . . . 122.13 111.794 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 96.3 m -70.26 -35.59 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.691 -0.804 . . . . 102.99 111.388 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.9 -33.02 74.88 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.372 -0.931 . . . . 133.18 111.285 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.31 -59.98 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.2 -0.6 . . . . 98.05 110.106 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 78.4 t -57.75 -28.88 33.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 O-C-N 122.156 -0.34 . . . . 99.91 111.499 -173.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -91.74 -7.83 48.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.318 0.859 . . . . 118.11 113.318 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 92.5 p -71.27 152.28 43.44 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.882 0.848 . . . . 87.51 111.821 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 9.4 t -56.38 -40.46 74.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.074 -0.966 . . . . 102.49 110.922 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.08 -47.11 84.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.712 -0.395 . . . . 138.14 111.44 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2014 ' ' PHE . . . . . . . . . . . . . 56.4 t80 -52.93 -52.14 58.91 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.583 -0.447 . . . . 96.62 111.034 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2015 ' ' THR . . . . . . . . . . . . . 32.8 m -61.4 -45.29 94.96 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.537 -0.865 . . . . 93.71 111.047 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.33 -46.44 88.59 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.105 -0.638 . . . . 105.57 111.26 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 82.0 t80 -50.39 -57.18 8.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.909 0.385 . . . . 105.8 111.476 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2018 ' ' ILE . . . . . . . . . . . . . 19.3 mm -51.63 -47.15 38.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 122.136 -0.353 . . . . 79.85 110.727 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2019 ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.44 -45.45 98.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 C-N-CA 120.064 -0.654 . . . . 78.83 110.501 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 73.1 t80 -48.24 -51.52 25.14 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 122.062 -0.399 . . . . 140.67 110.933 171.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.04 -49.2 78.58 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 122.06 -0.4 . . . . 96.1 111.302 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2022 ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.17 -42.7 36.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 120.419 -0.513 . . . . 81.93 110.474 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 39.1 t -70.03 -51.56 38.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.16 -0.616 . . . . 83.98 110.487 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2024 ' ' LEU . . . . . . . . . . . . . 4.4 mp -50.41 -51.44 46.35 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.259 -0.576 . . . . 98.38 111.066 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2025 ' ' ASN . . . . . 0.41 ' OD1' ' NH1' ' B' 2105 ' ' ARG . 3.5 t-20 -62.68 -34.77 77.79 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.301 -0.559 . . . . 86.56 111.223 -179.305 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -62.32 -48.41 82.64 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.867 -1.159 . . . . 67.65 111.941 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.39 -47.82 77.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.281 0.562 . . . . 82.36 110.334 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2028 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.31 -44.05 79.53 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.093 -0.379 . . . . 86.18 111.976 179.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -32.07 72.43 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.947 -0.701 . . . . 110.81 111.697 -177.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2030 ' ' GLY . . . . . . . . . . . . . . . -72.57 -41.47 51.03 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 119.988 -1.101 . . . . 93.57 112.562 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -41.23 88.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.015 -0.697 . . . . 81.63 111.176 176.078 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2032 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.16 -7.15 1.72 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.987 -0.445 . . . . 119.21 111.798 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2033 ' ' THR . . . . . . . . . . . . . 1.5 m -75.82 -27.91 58.09 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.061 0.393 . . . . 83.9 112.061 175.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 3.0 t -83.37 118.29 23.6 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.75 -0.463 . . . . 85.34 109.75 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -58.86 -39.94 82.85 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.205 -0.598 . . . . 85.03 110.996 173.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 14.6 m -56.41 -54.1 49.62 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.55 -0.46 . . . . 104.95 110.766 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2037 ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.09 -40.15 76.41 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.946 -0.702 . . . . 92.86 111.413 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2038 ' ' MET . . . . . . . . . . . . . 53.0 mmm -65.55 -34.83 79.17 Favored 'General case' 0 C--O 1.199 -1.56 0 N-CA-C 114.721 1.378 . . . . 100.52 114.721 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.31 -37.24 82.53 Favored 'General case' 0 N--CA 1.42 -1.971 0 C-N-CA 119.256 -0.978 . . . . 118.73 109.723 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2040 ' ' SER . . . . . . . . . . . . . 24.9 m -85.56 -44.7 12.43 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.819 -0.628 . . . . 129.98 111.998 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2041 ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.3 9.62 7.31 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.509 0.929 . . . . 120.21 113.509 -169.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2042 ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.64 49.12 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.235 -0.983 . . . . 102.13 113.159 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -59.22 -48.32 87.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.983 -0.716 . . . . 111.58 110.296 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -52.43 -47.41 66.38 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.167 0.508 . . . . 128.38 111.326 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2045 ' ' THR . . . . . 0.424 ' O ' ' ND2' ' B' 2049 ' ' ASN . 4.6 m -72.38 -40.84 66.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.546 -0.462 . . . . 128.86 111.957 -169.737 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 27.5 m -60.2 -40.23 89.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.148 -0.621 . . . . 124.71 111.253 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2047 ' ' LEU . . . . . . . . . . . . . . . -72.13 -37.25 69.48 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.053 -0.659 . . . . 130.21 111.026 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.24 -36.72 75.96 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.802 -0.759 . . . . 109.96 111.133 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2049 ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' B' 2045 ' ' THR . 69.6 m-80 -67.18 -40.76 86.61 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.734 -0.786 . . . . 113.63 111.117 174.924 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2050 ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -64.12 -35.78 81.87 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.702 -0.799 . . . . 160.95 111.298 174.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2051 ' ' ILE . . . . . . . . . . . . . 30.0 mt -69.79 -49.04 60.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.063 0.458 . . . . 99.6 110.519 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 4.5 t -55.79 -48.18 78.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.263 -0.575 . . . . 92.19 110.291 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2053 ' ' ILE . . . . . . . . . . . . . 6.0 tt -64.52 -37.74 80.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.169 -0.612 . . . . 116.2 110.568 -177.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 18.1 m -57.22 -50.15 73.77 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.073 -0.651 . . . . 97.26 110.479 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.03 -46.78 91.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 120.561 -0.456 . . . . 94.77 110.313 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -61.31 -30.94 70.8 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.3 -0.56 . . . . 106.37 111.751 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2057 ' ' THR . . . . . . . . . . . . . 78.6 m -71.7 -46.54 58.42 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.751 -0.78 . . . . 90.29 110.708 177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 51.1 mm -52.06 -40.89 30.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.17 0.51 . . . . 93.78 110.364 172.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2059 ' ' GLU . . . . . 0.679 ' OE1' ' NH2' ' B' 2108 ' ' ARG . 16.4 tt0 -64.61 -52.97 54.72 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.459 -0.497 . . . . 110.13 111.121 -178.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2060 ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.95 -46.16 76.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.246 -0.582 . . . . 97.06 110.054 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2061 ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.0 -57.07 9.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.399 0.618 . . . . 95.04 110.158 178.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.94 -42.97 76.96 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.416 -0.514 . . . . 97.51 111.367 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2063 ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -60.43 -32.31 71.24 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.017 -0.673 . . . . 88.66 111.428 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2064 ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.17 -42.89 44.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.62 -0.432 . . . . 97.13 111.084 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -60.58 -25.89 66.55 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.185 -1.006 . . . . 113.57 111.354 175.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 26.8 t -82.63 -52.54 13.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.838 0.351 . . . . 101.98 110.988 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 77.3 m80 -86.57 -15.21 40.59 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.549 0.944 . . . . 98.43 113.549 -174.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2068 ' ' ARG . . . . . . . . . . . . . . . 58.97 -127.24 1.33 Allowed 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.411 -1.329 . . . . 98.62 107.411 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . . . -71.46 -28.0 30.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 119.69 1.132 . . . . 118.31 111.331 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 25.5 m -60.84 -15.73 33.47 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 121.608 -0.682 . . . . 120.15 112.814 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2071 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.12 -44.97 67.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 118.479 0.582 . . . . 97.61 111.457 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -85.39 -5.29 59.31 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.1 0.778 . . . . 116.77 113.1 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -94.96 10.17 36.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.19 0.45 . . . . 100.07 111.923 168.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2074 ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' 2077 ' ' SER . 1.8 t0 -111.85 115.05 51.36 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 123.731 0.812 . . . . 101.81 109.308 -178.458 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2075 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -58.6 -40.45 73.63 Favored 'Trans proline' 0 C--O 1.239 0.554 0 CA-C-N 119.177 0.742 . . . . 100.35 113.063 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2076 ' ' TRP . . . . . . . . . . . . . 52.6 m95 -61.8 -40.28 94.68 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.717 -0.393 . . . . 85.29 111.34 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2077 ' ' SER . . . . . 0.528 ' N ' ' OD1' ' B' 2074 ' ' ASP . 6.6 m -72.63 -44.5 61.84 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.285 -0.566 . . . . 79.94 110.92 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 91.8 mt -48.63 -48.27 39.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.377 -0.529 . . . . 86.53 110.76 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2079 ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.36 -46.81 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.195 -0.602 . . . . 87.12 111.121 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2080 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.33 -39.91 88.74 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.49 -0.884 . . . . 108.91 110.512 177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.12 -57.87 10.99 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.352 0.596 . . . . 83.48 110.332 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2082 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.81 -36.19 76.26 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.203 -0.453 . . . . 130.57 111.615 -175.136 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2083 ' ' VAL . . . . . . . . . . . . . 1.6 t -75.33 -41.14 43.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 119.771 -0.772 . . . . 94.93 111.249 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2084 ' ' VAL . . . . . . . . . . . . . 84.5 t -67.42 -33.97 65.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 119.134 -1.027 . . . . 88.42 110.33 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2085 ' ' ALA . . . . . . . . . . . . . . . -67.25 -45.23 77.31 Favored 'General case' 0 C--O 1.238 0.447 0 O-C-N 122.027 -0.421 . . . . 95.4 111.335 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2086 ' ' ILE . . . . . . . . . . . . . 85.2 mt -47.08 -52.59 4.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.55 0.691 . . . . 98.92 110.134 171.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2087 ' ' SER . . . . . 0.591 ' OG ' ' NH2' ' B' 2105 ' ' ARG . 7.7 t -60.54 -9.68 4.07 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.547 0.573 . . . . 113.07 112.547 -177.745 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2088 ' ' LEU . . . . . . . . . . . . . 20.6 mt -96.0 -12.28 25.21 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.568 0.951 . . . . 120.03 113.568 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2089 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.26 128.22 91.58 Favored Pre-proline 0 C--O 1.245 0.846 0 N-CA-C 109.088 -0.708 . . . . 112.55 109.088 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2090 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 148.47 82.96 Favored 'Trans proline' 0 C--O 1.234 0.304 0 CA-C-N 119.285 0.781 . . . . 117.56 112.43 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 8.3 m -56.18 -29.45 60.86 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 114.922 -1.036 . . . . 140.42 112.094 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2092 ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 141.23 111.347 179.535 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.476 0.655 . . . . 108.72 110.161 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.19 -30.83 25.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 115.477 -0.783 . . . . 116.7 110.446 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 67.7 mt -66.33 -36.42 82.86 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.117 -0.633 . . . . 102.69 111.627 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -52.94 -37.63 61.18 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.508 -0.877 . . . . 81.84 110.742 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2100 ' ' VAL . . . . . . . . . . . . . 45.4 t -76.1 -40.57 37.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 120.789 -0.365 . . . . 82.95 110.795 179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2101 ' ' LEU . . . . . . . . . . . . . 25.9 mt -60.79 -17.65 50.52 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.67 -0.643 . . . . 85.51 112.371 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2102 ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -55.96 -31.96 63.44 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.202 -0.599 . . . . 117.82 111.739 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2103 ' ' VAL . . . . . . . . . . . . . 10.6 p -65.03 -16.87 20.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.601 -0.44 . . . . 80.78 111.479 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2104 ' ' LEU . . . . . . . . . . . . . 76.5 mt -58.49 -23.13 57.15 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.921 -0.712 . . . . 81.05 111.992 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2105 ' ' ARG . . . . . 0.591 ' NH2' ' OG ' ' B' 2087 ' ' SER . 8.0 ptp85 -61.3 -12.94 15.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 119.316 -0.954 . . . . 94.83 112.33 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.32 -23.32 60.24 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.217 -0.993 . . . . 82.27 112.119 173.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.68 -16.77 58.72 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 118.981 -1.088 . . . . 74.13 111.171 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2108 ' ' ARG . . . . . 0.679 ' NH2' ' OE1' ' B' 2059 ' ' GLU . 0.0 OUTLIER -54.74 -24.78 23.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.998 -0.281 . . . . 111.91 111.738 172.453 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.48 -22.2 66.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.737 -0.385 . . . . 81.3 111.737 171.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2110 ' ' VAL . . . . . . . . . . . . . 76.9 t -80.74 -47.5 20.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 120.945 0.402 . . . . 88.94 110.598 172.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2111 ' ' THR . . . . . . . . . . . . . 28.7 p -68.75 -14.43 63.02 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.058 0.762 . . . . 96.05 113.058 -175.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -103.73 -13.51 16.44 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.741 1.015 . . . . 95.43 113.741 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2113 ' ' VAL . . . . . . . . . . . . . 94.3 t -106.64 114.52 61.81 Favored Pre-proline 0 C--O 1.24 0.602 0 N-CA-C 108.179 -1.045 . . . . 87.18 108.179 -177.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -57.13 -43.4 53.63 Favored 'Trans proline' 0 C--O 1.238 0.506 0 CA-C-N 119.157 0.735 . . . . 85.41 113.724 -173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2115 ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -51.13 -44.1 61.29 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.691 -0.404 . . . . 131.85 111.543 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2116 ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.08 -44.22 72.96 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.613 -0.435 . . . . 113.88 111.618 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -47.67 -50.44 24.75 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.928 0.394 . . . . 140.22 111.075 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -60.99 -43.86 98.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.677 -0.238 . . . . 79.75 111.316 -175.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.52 -53.38 25.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.589 0.709 . . . . 87.07 110.196 176.195 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2120 ' ' VAL . . . . . . . . . . . . . 87.1 t -65.0 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 120.022 -0.671 . . . . 78.65 110.435 -176.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 60.5 m -58.15 -49.91 75.35 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.107 -0.637 . . . . 92.21 110.95 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -54.32 -52.41 61.61 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.873 0.368 . . . . 77.32 111.496 177.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.61 -43.25 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.833 -0.747 . . . . 84.33 111.025 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2124 ' ' ILE . . . . . . . . . . . . . 58.9 mt -63.58 -28.2 44.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 122.243 -0.285 . . . . 108.41 111.155 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2125 ' ' SER . . . . . . . . . . . . . 89.4 p -68.11 -22.67 64.88 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.956 -0.697 . . . . 77.14 112.27 -167.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2126 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.94 -20.45 21.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.399 -0.92 . . . . 79.47 111.759 175.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.52 -47.68 34.99 Favored Pre-proline 0 C--O 1.237 0.447 0 O-C-N 121.686 -0.634 . . . . 70.95 111.311 -166.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2128 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.95 -43.43 52.19 Favored 'Trans proline' 0 N--CA 1.477 0.553 0 CA-C-N 120.416 1.184 . . . . 83.64 113.538 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -65.43 -19.22 66.42 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.536 -0.84 . . . . 124.6 114.629 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2130 ' ' MET . . . . . . . . . . . . . 66.6 mtp -89.14 -10.37 47.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 118.231 1.016 . . . . 86.86 113.7 -178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 22.0 mt -53.48 -47.56 69.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.175 0.443 . . . . 98.63 112.038 -170.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 91.8 p -63.35 -41.69 98.87 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.097 -1.041 . . . . 95.8 111.219 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2133 ' ' VAL . . . . . . . . . . . . . 86.7 t -62.82 -38.69 82.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 119.865 -0.734 . . . . 68.18 110.003 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2134 ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.9 -44.9 98.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.843 -0.536 . . . . 79.98 110.323 174.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.32 82.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.008 0.432 . . . . 68.99 111.467 175.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.74 -42.15 95.39 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.652 -0.419 . . . . 70.46 111.279 -178.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2137 ' ' MET . . . . . . . . . . . . . 2.9 tpt -62.78 -40.8 98.44 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.818 -0.353 . . . . 114.85 110.689 177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 87.8 m -67.79 -43.28 80.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.654 -0.248 . . . . 74.06 110.908 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.63 -42.67 75.3 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.736 -0.785 . . . . 64.81 110.63 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.61 -52.29 66.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.927 0.394 . . . . 62.24 111.081 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.68 -47.37 70.51 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.365 -0.534 . . . . 66.66 110.912 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.32 -45.53 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.876 0.37 . . . . 66.91 111.195 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 59.5 mt -61.95 -47.89 91.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.464 0.65 . . . . 65.22 110.262 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -68.3 -33.05 73.63 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 118.969 -1.093 . . . . 72.11 111.566 -178.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.39 93.11 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.927 -0.709 . . . . 67.1 110.628 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.69 -47.09 83.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.071 -0.652 . . . . 70.76 110.295 175.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 80.6 mtp -63.14 -48.02 80.22 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.677 -0.809 . . . . 79.36 111.065 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.14 91.41 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.752 -0.779 . . . . 58.19 110.82 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 53.9 m -56.85 -40.43 76.1 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 118.977 -1.089 . . . . 69.48 110.406 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -75.04 -37.73 61.64 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.575 -0.45 . . . . 90.54 111.583 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2151 ' ' LEU . . . . . . . . . . . . . 93.1 mt -74.19 -43.41 57.36 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.128 -0.629 . . . . 62.35 111.764 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.45 -8.32 8.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 115.149 1.537 . . . . 62.17 115.149 -165.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.14 72.8 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 119.946 -1.121 . . . . 68.41 114.038 -172.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -72.56 -45.25 60.13 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.138 -0.625 . . . . 132.27 111.521 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2155 ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -87.59 -15.53 37.11 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.268 0.84 . . . . 116.02 113.268 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -135.79 66.45 62.71 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.91 -0.774 . . . . 59.71 108.91 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.68 -42.11 27.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 N-CA-C 113.836 0.668 . . . . 59.8 113.836 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -52.87 -41.89 64.73 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.444 -0.902 . . . . 90.54 111.319 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 40.4 m0 -92.36 -24.2 18.99 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 113.8 1.037 . . . . 55.63 113.8 -174.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -147.79 4.41 0.75 Allowed 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.882 1.067 . . . . 55.22 113.882 -170.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -66.86 -11.18 57.46 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.711 1.141 . . . . 70.77 114.351 -175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2162 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.63 148.0 36.72 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.637 -0.875 . . . . 62.61 108.637 -173.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2163 ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' 2407 ' ' HOH . 32.5 tp -56.07 -40.72 74.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.669 -0.812 . . . . 70.39 110.934 179.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2164 ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.7 97.63 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 119.956 -1.116 . . . . 61.95 112.845 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2165 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.66 -39.95 94.58 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 122.175 -0.603 . . . . 100.63 111.174 -178.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 49.9 m -65.85 -37.47 86.27 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 121.129 -0.228 . . . . 61.61 111.44 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -50.94 71.46 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.01 -0.676 . . . . 68.34 110.36 174.302 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 54.9 t80 -57.03 -49.6 75.3 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.216 -0.447 . . . . 54.42 111.239 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 85.1 m -61.99 -44.06 97.54 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 118.871 -1.132 . . . . 56.38 110.559 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2170 ' ' LEU . . . . . . . . . . . . . 29.0 mt -59.25 -38.39 79.96 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.21 -0.596 . . . . 57.14 111.419 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 76.4 t80 -63.73 -40.66 97.3 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 118.471 -1.292 . . . . 58.75 110.792 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.09 -44.11 91.88 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.983 -0.687 . . . . 59.92 110.507 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 70.8 t -63.67 -39.83 86.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 119.679 -0.809 . . . . 59.01 110.146 -179.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2174 ' ' MET . . . . . . . . . . . . . 24.6 ttp -56.74 -47.72 79.39 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.582 -0.847 . . . . 73.8 110.57 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 32.0 p -66.91 -5.88 14.32 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 118.391 -1.324 . . . . 58.07 112.172 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 80.1 mt 68.49 14.62 9.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.824 0.849 . . . . 56.79 112.632 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2177 ' ' GLU . . . . . 0.665 ' OE1' ' OG ' ' B' 2178 ' ' SER . 1.1 tm-20 -76.69 108.44 9.7 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.548 -0.72 . . . . 68.77 109.217 -177.16 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2178 ' ' SER . . . . . 0.665 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 4.8 m 55.26 28.93 11.95 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.602 0.593 . . . . 63.44 112.602 178.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -62.64 -33.65 75.45 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 117.911 -1.515 . . . . 60.43 111.869 -173.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 36.6 t -92.61 -59.45 2.07 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.264 -0.574 . . . . 56.23 112.436 -174.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 73.9 mmm -65.26 -34.35 78.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.449 -0.5 . . . . 64.94 111.315 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2182 ' ' GLY . . . . . . . . . . . . . . . -90.73 -25.99 23.72 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 114.995 0.758 . . . . 59.65 114.995 -172.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2183 ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.62 -64.29 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 117.767 0.783 . . . . 56.92 111.168 -175.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 88.9 t -71.27 -41.73 74.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 119.596 -0.841 . . . . 58.44 111.417 -165.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2185 ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -58.82 -51.05 84.59 Favored Pre-proline 0 C--O 1.245 0.859 0 C-N-CA 118.682 -1.207 . . . . 58.3 111.307 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2186 ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.08 -45.04 43.73 Favored 'Trans proline' 0 N--CA 1.48 0.726 0 CA-C-N 120.508 1.217 . . . . 60.6 112.355 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.8 -42.14 75.19 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.644 -0.66 . . . . 60.34 111.301 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2188 ' ' MET . . . . . . . . . . . . . 65.6 mtm -69.73 -16.65 63.36 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.748 -0.781 . . . . 61.64 112.816 -174.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -67.68 -21.86 65.32 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.148 -0.621 . . . . 121.34 111.92 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 91.4 t -109.41 -38.94 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.311 0.644 . . . . 66.56 111.579 174.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2191 ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -118.8 90.34 40.17 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 107.641 -1.244 . . . . 60.49 107.641 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -62.97 -18.84 67.15 Favored 'Trans proline' 0 C--O 1.236 0.422 0 N-CA-C 114.091 0.766 . . . . 65.93 114.091 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.76 11.32 33.93 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 119.101 0.864 . . . . 88.98 112.767 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -55.9 -29.97 60.86 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.261 -0.576 . . . . 66.26 111.627 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2195 ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -60.09 -28.07 67.52 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.7 -0.4 . . . . 65.48 111.399 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2196 ' ' VAL . . . . . . . . . . . . . 89.8 t -66.66 -21.34 28.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 122.078 -0.388 . . . . 62.7 110.924 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -88.21 -52.33 5.28 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.901 0.88 . . . . 62.92 111.134 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2198 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -82.78 -31.52 28.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 113.921 1.082 . . . . 64.24 113.921 -171.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2199 ' ' ILE . . . . . . . . . . . . . 20.7 mm -63.41 -55.54 34.62 Favored Pre-proline 0 C--O 1.243 0.757 0 C-N-CA 118.298 -1.361 . . . . 67.43 108.471 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2200 ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -54.81 -41.19 80.5 Favored 'Trans proline' 0 C--O 1.236 0.379 0 CA-C-N 118.828 0.617 . . . . 66.23 112.259 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.67 -40.29 75.27 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.546 -0.462 . . . . 59.2 111.579 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2202 ' ' ILE . . . . . . . . . . . . . 64.0 mt -69.28 -38.81 78.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.334 -0.546 . . . . 61.03 110.5 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -60.65 -49.25 78.26 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.904 -0.498 . . . . 84.44 110.934 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 54.1 t -61.07 -57.66 11.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.566 0.698 . . . . 64.65 110.088 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2205 ' ' VAL . . . . . . . . . . . . . 2.6 t -55.74 -38.45 51.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 O-C-N 121.939 -0.475 . . . . 67.82 111.171 -175.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2206 ' ' ALA . . . . . . . . . . . . . . . -73.57 -46.72 45.6 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 121.548 -0.72 . . . . 65.05 110.95 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.89 -42.7 85.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.916 -0.314 . . . . 70.06 111.042 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 24.4 t -65.89 -42.49 92.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.812 -0.355 . . . . 71.98 110.983 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 54.4 mtp -71.82 -44.38 64.01 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 117.952 -1.499 . . . . 120.05 111.233 -175.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.41 -44.6 80.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.311 0.577 . . . . 67.64 110.4 175.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -75.65 -24.14 56.37 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.925 -0.485 . . . . 77.56 112.295 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2212 ' ' LEU . . . . . . . . . . . . . 68.7 tp -64.78 -40.64 95.59 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.055 -0.658 . . . . 89.23 110.771 169.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 58.1 t -67.84 -42.7 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.865 -0.334 . . . . 65.76 110.543 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 42.4 t -61.14 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.369 -0.533 . . . . 66.16 110.008 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.65 91.85 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.852 -0.739 . . . . 69.85 111.1 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.37 -45.92 94.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 119.539 -0.864 . . . . 69.62 109.981 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2217 ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.03 -53.82 41.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 O-C-N 121.999 -0.438 . . . . 73.41 110.393 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2218 ' ' VAL . . . . . . . . . . . . . 91.4 t -65.54 -43.9 94.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 121.78 -0.575 . . . . 73.19 111.371 -176.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.52 -28.54 68.64 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 118.374 -1.33 . . . . 83.77 111.611 -177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.488 -0.885 . . . . 76.55 110.799 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2221 ' ' MET . . . . . . . . . . . . . 2.1 mtp -59.61 -40.08 86.35 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.38 -0.528 . . . . 131.02 110.924 177.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.33 70.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.129 0.49 . . . . 80.53 110.392 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.58 -49.55 81.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 116.359 -0.382 . . . . 88.67 110.617 177.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 57.0 mt -49.97 -46.12 52.18 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.989 -0.684 . . . . 83.76 111.073 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.28 -31.52 71.89 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 122.254 -0.279 . . . . 97.33 111.527 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -67.22 -44.16 80.22 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.728 -0.789 . . . . 127.02 110.669 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -62.95 -45.82 90.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 120.701 0.286 . . . . 105.4 111.334 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.85 -24.82 48.49 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.789 -0.764 . . . . 124.58 112.533 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2229 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -65.81 -38.57 89.3 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.395 -0.522 . . . . 123.23 111.027 174.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -71.4 -36.92 71.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.844 -0.742 . . . . 169.86 111.385 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.25 -41.94 93.79 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.283 -0.567 . . . . 146.18 111.134 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.17 -46.07 88.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.574 -0.451 . . . . 121.0 110.44 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2233 ' ' ILE . . . . . . . . . . . . . 26.3 mt -59.72 -35.12 58.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.442 -0.503 . . . . 126.38 110.984 -178.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2234 ' ' ASP . . . . . 0.42 ' O ' ' N ' ' B' 2238 ' ' SER . 72.8 m-20 -65.15 -38.26 90.01 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.281 -0.568 . . . . 141.46 111.332 177.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.52 -41.17 72.93 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.339 -0.544 . . . . 148.22 111.042 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -57.95 -42.93 83.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 119.89 -0.724 . . . . 146.33 110.864 170.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2237 ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -76.27 -40.01 52.85 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.219 0.452 . . . . 150.5 112.219 -176.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2238 ' ' SER . . . . . 0.42 ' N ' ' O ' ' B' 2234 ' ' ASP . . . -73.62 -43.19 60.25 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.854 -0.738 . . . . 169.99 111.232 -179.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 2239 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.986 0.422 . . . . 178.98 110.724 178.858 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2301 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2302 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2303 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2304 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2305 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2306 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2307 ' ' CPS . . . . . 0.445 ' C24' ' C21' ' B' 2307 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2403 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2404 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2405 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2406 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2407 ' ' HOH . . . . . 0.416 ' O ' ' N ' ' B' 2163 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2408 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2409 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2410 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2411 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2412 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2413 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2414 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2415 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2416 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2418 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2420 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2421 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2422 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2423 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2424 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2425 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2426 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1999 ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.611 0.243 . . . . 146.44 111.014 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . . . -64.03 -44.15 93.4 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 117.361 -1.736 . . . . 162.88 107.766 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2001 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -43.73 95.95 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 122.223 1.011 . . . . 152.15 110.662 -178.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.53 -42.68 99.17 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 114.012 -1.449 . . . . 124.46 109.815 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.34 -36.2 68.75 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 116.315 -2.154 . . . . 111.85 111.558 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -52.53 -52.26 55.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.476 -0.49 . . . . 102.37 111.034 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2005 ' ' ILE . . . . . . . . . . . . . 1.9 pt -72.49 -23.36 21.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.672 -0.811 . . . . 122.13 111.794 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 96.3 m -70.26 -35.59 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.691 -0.804 . . . . 102.99 111.388 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.9 -33.02 74.88 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.372 -0.931 . . . . 133.18 111.285 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.31 -59.98 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.2 -0.6 . . . . 98.05 110.106 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 78.4 t -57.75 -28.88 33.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 O-C-N 122.156 -0.34 . . . . 99.91 111.499 -173.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -91.74 -7.83 48.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.318 0.859 . . . . 118.11 113.318 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 92.5 p -71.27 152.28 43.44 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.882 0.848 . . . . 87.51 111.821 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 9.4 t -56.38 -40.46 74.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.074 -0.966 . . . . 102.49 110.922 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.08 -47.11 84.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.712 -0.395 . . . . 138.14 111.44 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2014 ' ' PHE . . . . . . . . . . . . . 56.4 t80 -52.93 -52.14 58.91 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.583 -0.447 . . . . 96.62 111.034 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2015 ' ' THR . . . . . . . . . . . . . 32.8 m -61.4 -45.29 94.96 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.537 -0.865 . . . . 93.71 111.047 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.33 -46.44 88.59 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.105 -0.638 . . . . 105.57 111.26 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 82.0 t80 -50.39 -57.18 8.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.909 0.385 . . . . 105.8 111.476 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2018 ' ' ILE . . . . . . . . . . . . . 19.3 mm -51.63 -47.15 38.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 122.136 -0.353 . . . . 79.85 110.727 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2019 ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.44 -45.45 98.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 C-N-CA 120.064 -0.654 . . . . 78.83 110.501 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 73.1 t80 -48.24 -51.52 25.14 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 122.062 -0.399 . . . . 140.67 110.933 171.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.04 -49.2 78.58 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 122.06 -0.4 . . . . 96.1 111.302 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2022 ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.17 -42.7 36.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 120.419 -0.513 . . . . 81.93 110.474 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 39.1 t -70.03 -51.56 38.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.16 -0.616 . . . . 83.98 110.487 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2024 ' ' LEU . . . . . . . . . . . . . 4.4 mp -50.41 -51.44 46.35 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.259 -0.576 . . . . 98.38 111.066 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2025 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.68 -34.77 77.79 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.301 -0.559 . . . . 86.56 111.223 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -62.32 -48.41 82.64 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.867 -1.159 . . . . 67.65 111.941 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.39 -47.82 77.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.281 0.562 . . . . 82.36 110.334 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2028 ' ' THR . . . . . 0.634 HG23 ' CG2' ' B' 2045 ' ' THR . 1.0 OUTLIER -56.31 -44.05 79.53 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.093 -0.379 . . . . 86.18 111.976 179.583 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -32.07 72.43 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.947 -0.701 . . . . 110.81 111.697 -177.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2030 ' ' GLY . . . . . 0.535 ' O ' ' HB ' ' B' 2033 ' ' THR . . . -72.57 -41.47 51.03 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 119.988 -1.101 . . . . 93.57 112.562 177.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -41.23 88.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.015 -0.697 . . . . 81.63 111.176 176.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2032 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.16 -7.15 1.72 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.987 -0.445 . . . . 119.21 111.798 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2033 ' ' THR . . . . . 0.535 ' HB ' ' O ' ' B' 2030 ' ' GLY . 1.5 m -75.82 -27.91 58.09 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.061 0.393 . . . . 83.9 112.061 175.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 3.0 t -83.37 118.29 23.6 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.75 -0.463 . . . . 85.34 109.75 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -58.86 -39.94 82.85 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.205 -0.598 . . . . 85.03 110.996 173.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 14.6 m -56.41 -54.1 49.62 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.55 -0.46 . . . . 104.95 110.766 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2037 ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.09 -40.15 76.41 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.946 -0.702 . . . . 92.86 111.413 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2038 ' ' MET . . . . . . . . . . . . . 53.0 mmm -65.55 -34.83 79.17 Favored 'General case' 0 C--O 1.199 -1.56 0 N-CA-C 114.721 1.378 . . . . 100.52 114.721 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.31 -37.24 82.53 Favored 'General case' 0 N--CA 1.42 -1.971 0 C-N-CA 119.256 -0.978 . . . . 118.73 109.723 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2040 ' ' SER . . . . . . . . . . . . . 24.9 m -85.56 -44.7 12.43 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.819 -0.628 . . . . 129.98 111.998 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2041 ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.3 9.62 7.31 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.509 0.929 . . . . 120.21 113.509 -169.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2042 ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.64 49.12 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.235 -0.983 . . . . 102.13 113.159 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -59.22 -48.32 87.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.983 -0.716 . . . . 111.58 110.296 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -52.43 -47.41 66.38 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.167 0.508 . . . . 128.38 111.326 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2045 ' ' THR . . . . . 0.634 ' CG2' HG23 ' B' 2028 ' ' THR . 4.6 m -72.38 -40.84 66.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.546 -0.462 . . . . 128.86 111.957 -169.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 27.5 m -60.2 -40.23 89.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.148 -0.621 . . . . 124.71 111.253 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2047 ' ' LEU . . . . . 0.47 ' O ' HG13 ' B' 2051 ' ' ILE . . . -72.13 -37.25 69.48 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.053 -0.659 . . . . 130.21 111.026 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.24 -36.72 75.96 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.802 -0.759 . . . . 109.96 111.133 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2049 ' ' ASN . . . . . 0.477 ' O ' HG22 ' B' 2053 ' ' ILE . 69.6 m-80 -67.18 -40.76 86.61 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.734 -0.786 . . . . 113.63 111.117 174.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2050 ' ' GLN . . . . . 0.411 ' HA ' HG22 ' B' 2053 ' ' ILE . 5.6 tp60 -64.12 -35.78 81.87 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.702 -0.799 . . . . 160.95 111.298 174.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2051 ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' 2047 ' ' LEU . 30.0 mt -69.79 -49.04 60.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.063 0.458 . . . . 99.6 110.519 179.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 4.5 t -55.79 -48.18 78.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.263 -0.575 . . . . 92.19 110.291 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2053 ' ' ILE . . . . . 0.477 HG22 ' O ' ' B' 2049 ' ' ASN . 6.0 tt -64.52 -37.74 80.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.169 -0.612 . . . . 116.2 110.568 -177.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 18.1 m -57.22 -50.15 73.77 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.073 -0.651 . . . . 97.26 110.479 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.03 -46.78 91.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 120.561 -0.456 . . . . 94.77 110.313 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -61.31 -30.94 70.8 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.3 -0.56 . . . . 106.37 111.751 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2057 ' ' THR . . . . . 0.417 ' O ' HG13 ' B' 2061 ' ' ILE . 78.6 m -71.7 -46.54 58.42 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.751 -0.78 . . . . 90.29 110.708 177.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 51.1 mm -52.06 -40.89 30.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.17 0.51 . . . . 93.78 110.364 172.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2059 ' ' GLU . . . . . 0.606 ' OE1' ' NH2' ' B' 2108 ' ' ARG . 16.4 tt0 -64.61 -52.97 54.72 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.459 -0.497 . . . . 110.13 111.121 -178.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2060 ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.95 -46.16 76.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.246 -0.582 . . . . 97.06 110.054 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2061 ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' 2057 ' ' THR . 58.7 mt -56.0 -57.07 9.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.399 0.618 . . . . 95.04 110.158 178.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.94 -42.97 76.96 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.416 -0.514 . . . . 97.51 111.367 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2063 ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -60.43 -32.31 71.24 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.017 -0.673 . . . . 88.66 111.428 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2064 ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.17 -42.89 44.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.62 -0.432 . . . . 97.13 111.084 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -60.58 -25.89 66.55 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.185 -1.006 . . . . 113.57 111.354 175.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 26.8 t -82.63 -52.54 13.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.838 0.351 . . . . 101.98 110.988 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 77.3 m80 -86.57 -15.21 40.59 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.549 0.944 . . . . 98.43 113.549 -174.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2068 ' ' ARG . . . . . . . . . . . . . . . 58.97 -127.24 1.33 Allowed 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.411 -1.329 . . . . 98.62 107.411 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . . . -71.46 -28.0 30.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 119.69 1.132 . . . . 118.31 111.331 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 25.5 m -60.84 -15.73 33.47 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 121.608 -0.682 . . . . 120.15 112.814 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2071 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.12 -44.97 67.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 118.479 0.582 . . . . 97.61 111.457 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -85.39 -5.29 59.31 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.1 0.778 . . . . 116.77 113.1 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -94.96 10.17 36.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.19 0.45 . . . . 100.07 111.923 168.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2074 ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' 2077 ' ' SER . 1.8 t0 -111.85 115.05 51.36 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 123.731 0.812 . . . . 101.81 109.308 -178.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2075 ' ' PRO . . . . . 0.495 ' HB2' ' C11' ' B' 2304 ' ' PX4 . 35.7 Cg_exo -58.6 -40.45 73.63 Favored 'Trans proline' 0 C--O 1.239 0.554 0 CA-C-N 119.177 0.742 . . . . 100.35 113.063 -178.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2076 ' ' TRP . . . . . . . . . . . . . 52.6 m95 -61.8 -40.28 94.68 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.717 -0.393 . . . . 85.29 111.34 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2077 ' ' SER . . . . . 0.449 ' N ' ' OD1' ' B' 2074 ' ' ASP . 6.6 m -72.63 -44.5 61.84 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.285 -0.566 . . . . 79.94 110.92 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 91.8 mt -48.63 -48.27 39.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.377 -0.529 . . . . 86.53 110.76 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2079 ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.36 -46.81 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.195 -0.602 . . . . 87.12 111.121 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2080 ' ' ASP . . . . . 0.408 ' O ' HG23 ' B' 2084 ' ' VAL . 6.7 m-20 -60.33 -39.91 88.74 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.49 -0.884 . . . . 108.91 110.512 177.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.12 -57.87 10.99 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.352 0.596 . . . . 83.48 110.332 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2082 ' ' PHE . . . . . 0.652 ' CE1' HD11 ' B' 2086 ' ' ILE . 0.3 OUTLIER -59.81 -36.19 76.26 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.203 -0.453 . . . . 130.57 111.615 -175.136 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2083 ' ' VAL . . . . . 0.917 HG11 ' HA ' ' B' 2105 ' ' ARG . 1.6 t -75.33 -41.14 43.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 119.771 -0.772 . . . . 94.93 111.249 -179.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2084 ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' 2080 ' ' ASP . 84.5 t -67.42 -33.97 65.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 119.134 -1.027 . . . . 88.42 110.33 178.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2085 ' ' ALA . . . . . . . . . . . . . . . -67.25 -45.23 77.31 Favored 'General case' 0 C--O 1.238 0.447 0 O-C-N 122.027 -0.421 . . . . 95.4 111.335 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2086 ' ' ILE . . . . . 0.652 HD11 ' CE1' ' B' 2082 ' ' PHE . 85.2 mt -47.08 -52.59 4.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.55 0.691 . . . . 98.92 110.134 171.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2087 ' ' SER . . . . . 0.543 ' OG ' ' NH2' ' B' 2105 ' ' ARG . 7.7 t -60.54 -9.68 4.07 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.547 0.573 . . . . 113.07 112.547 -177.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2088 ' ' LEU . . . . . . . . . . . . . 20.6 mt -96.0 -12.28 25.21 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.568 0.951 . . . . 120.03 113.568 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2089 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.26 128.22 91.58 Favored Pre-proline 0 C--O 1.245 0.846 0 N-CA-C 109.088 -0.708 . . . . 112.55 109.088 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2090 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 148.47 82.96 Favored 'Trans proline' 0 C--O 1.234 0.304 0 CA-C-N 119.285 0.781 . . . . 117.56 112.43 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 8.3 m -56.18 -29.45 60.86 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 114.922 -1.036 . . . . 140.42 112.094 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2092 ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 141.23 111.347 179.535 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.476 0.655 . . . . 108.72 110.161 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.19 -30.83 25.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 115.477 -0.783 . . . . 116.7 110.446 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 67.7 mt -66.33 -36.42 82.86 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.117 -0.633 . . . . 102.69 111.627 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -52.94 -37.63 61.18 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.508 -0.877 . . . . 81.84 110.742 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2100 ' ' VAL . . . . . 0.565 ' O ' HG12 ' B' 2103 ' ' VAL . 45.4 t -76.1 -40.57 37.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 120.789 -0.365 . . . . 82.95 110.795 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2101 ' ' LEU . . . . . . . . . . . . . 25.9 mt -60.79 -17.65 50.52 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.67 -0.643 . . . . 85.51 112.371 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2102 ' ' ARG . . . . . 0.533 ' HG2' ' HA ' ' B' 2087 ' ' SER . 96.5 mtt180 -55.96 -31.96 63.44 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.202 -0.599 . . . . 117.82 111.739 178.228 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2103 ' ' VAL . . . . . 0.565 HG12 ' O ' ' B' 2100 ' ' VAL . 10.6 p -65.03 -16.87 20.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.601 -0.44 . . . . 80.78 111.479 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2104 ' ' LEU . . . . . . . . . . . . . 76.5 mt -58.49 -23.13 57.15 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.921 -0.712 . . . . 81.05 111.992 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2105 ' ' ARG . . . . . 0.917 ' HA ' HG11 ' B' 2083 ' ' VAL . 8.0 ptp85 -61.3 -12.94 15.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 119.316 -0.954 . . . . 94.83 112.33 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.32 -23.32 60.24 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.217 -0.993 . . . . 82.27 112.119 173.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.68 -16.77 58.72 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 118.981 -1.088 . . . . 74.13 111.171 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2108 ' ' ARG . . . . . 0.606 ' NH2' ' OE1' ' B' 2059 ' ' GLU . 0.0 OUTLIER -54.74 -24.78 23.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.998 -0.281 . . . . 111.91 111.738 172.453 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.48 -22.2 66.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.737 -0.385 . . . . 81.3 111.737 171.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2110 ' ' VAL . . . . . . . . . . . . . 76.9 t -80.74 -47.5 20.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 120.945 0.402 . . . . 88.94 110.598 172.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2111 ' ' THR . . . . . . . . . . . . . 28.7 p -68.75 -14.43 63.02 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.058 0.762 . . . . 96.05 113.058 -175.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -103.73 -13.51 16.44 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.741 1.015 . . . . 95.43 113.741 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2113 ' ' VAL . . . . . . . . . . . . . 94.3 t -106.64 114.52 61.81 Favored Pre-proline 0 C--O 1.24 0.602 0 N-CA-C 108.179 -1.045 . . . . 87.18 108.179 -177.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -57.13 -43.4 53.63 Favored 'Trans proline' 0 C--O 1.238 0.506 0 CA-C-N 119.157 0.735 . . . . 85.41 113.724 -173.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2115 ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -51.13 -44.1 61.29 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.691 -0.404 . . . . 131.85 111.543 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2116 ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.08 -44.22 72.96 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.613 -0.435 . . . . 113.88 111.618 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -47.67 -50.44 24.75 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.928 0.394 . . . . 140.22 111.075 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -60.99 -43.86 98.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.677 -0.238 . . . . 79.75 111.316 -175.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.52 -53.38 25.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.589 0.709 . . . . 87.07 110.196 176.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2120 ' ' VAL . . . . . . . . . . . . . 87.1 t -65.0 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 120.022 -0.671 . . . . 78.65 110.435 -176.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 60.5 m -58.15 -49.91 75.35 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.107 -0.637 . . . . 92.21 110.95 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -54.32 -52.41 61.61 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.873 0.368 . . . . 77.32 111.496 177.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.61 -43.25 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.833 -0.747 . . . . 84.33 111.025 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2124 ' ' ILE . . . . . . . . . . . . . 58.9 mt -63.58 -28.2 44.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 122.243 -0.285 . . . . 108.41 111.155 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2125 ' ' SER . . . . . . . . . . . . . 89.4 p -68.11 -22.67 64.88 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.956 -0.697 . . . . 77.14 112.27 -167.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2126 ' ' VAL . . . . . 0.766 HG12 ' C16' ' B' 2306 ' ' CPS . 0.9 OUTLIER -70.94 -20.45 21.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.399 -0.92 . . . . 79.47 111.759 175.432 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.52 -47.68 34.99 Favored Pre-proline 0 C--O 1.237 0.447 0 O-C-N 121.686 -0.634 . . . . 70.95 111.311 -166.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2128 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.95 -43.43 52.19 Favored 'Trans proline' 0 N--CA 1.477 0.553 0 CA-C-N 120.416 1.184 . . . . 83.64 113.538 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -65.43 -19.22 66.42 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.536 -0.84 . . . . 124.6 114.629 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2130 ' ' MET . . . . . 0.638 ' HE3' HD21 ' B' 2212 ' ' LEU . 66.6 mtp -89.14 -10.37 47.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 118.231 1.016 . . . . 86.86 113.7 -178.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 22.0 mt -53.48 -47.56 69.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.175 0.443 . . . . 98.63 112.038 -170.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 91.8 p -63.35 -41.69 98.87 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.097 -1.041 . . . . 95.8 111.219 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2133 ' ' VAL . . . . . . . . . . . . . 86.7 t -62.82 -38.69 82.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 119.865 -0.734 . . . . 68.18 110.003 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2134 ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.9 -44.9 98.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.843 -0.536 . . . . 79.98 110.323 174.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.32 82.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.008 0.432 . . . . 68.99 111.467 175.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.74 -42.15 95.39 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.652 -0.419 . . . . 70.46 111.279 -178.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2137 ' ' MET . . . . . 0.834 ' HE1' ' HA ' ' B' 2205 ' ' VAL . 2.9 tpt -62.78 -40.8 98.44 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.818 -0.353 . . . . 114.85 110.689 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 87.8 m -67.79 -43.28 80.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.654 -0.248 . . . . 74.06 110.908 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.63 -42.67 75.3 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.736 -0.785 . . . . 64.81 110.63 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.61 -52.29 66.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.927 0.394 . . . . 62.24 111.081 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.68 -47.37 70.51 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.365 -0.534 . . . . 66.66 110.912 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.32 -45.53 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.876 0.37 . . . . 66.91 111.195 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 59.5 mt -61.95 -47.89 91.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.464 0.65 . . . . 65.22 110.262 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -68.3 -33.05 73.63 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 118.969 -1.093 . . . . 72.11 111.566 -178.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.39 93.11 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.927 -0.709 . . . . 67.1 110.628 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.69 -47.09 83.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.071 -0.652 . . . . 70.76 110.295 175.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 80.6 mtp -63.14 -48.02 80.22 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.677 -0.809 . . . . 79.36 111.065 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.14 91.41 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.752 -0.779 . . . . 58.19 110.82 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 53.9 m -56.85 -40.43 76.1 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 118.977 -1.089 . . . . 69.48 110.406 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -75.04 -37.73 61.64 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.575 -0.45 . . . . 90.54 111.583 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2151 ' ' LEU . . . . . 0.637 HD22 ' H18' ' B' 2302 ' ' PX4 . 93.1 mt -74.19 -43.41 57.36 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.128 -0.629 . . . . 62.35 111.764 -177.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.45 -8.32 8.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 115.149 1.537 . . . . 62.17 115.149 -165.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.14 72.8 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 119.946 -1.121 . . . . 68.41 114.038 -172.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -72.56 -45.25 60.13 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.138 -0.625 . . . . 132.27 111.521 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2155 ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -87.59 -15.53 37.11 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.268 0.84 . . . . 116.02 113.268 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -135.79 66.45 62.71 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.91 -0.774 . . . . 59.71 108.91 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.68 -42.11 27.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 N-CA-C 113.836 0.668 . . . . 59.8 113.836 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -52.87 -41.89 64.73 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.444 -0.902 . . . . 90.54 111.319 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 40.4 m0 -92.36 -24.2 18.99 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 113.8 1.037 . . . . 55.63 113.8 -174.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -147.79 4.41 0.75 Allowed 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.882 1.067 . . . . 55.22 113.882 -170.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -66.86 -11.18 57.46 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.711 1.141 . . . . 70.77 114.351 -175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2162 ' ' THR . . . . . 0.933 HG22 ' H ' ' B' 2165 ' ' GLU . 0.6 OUTLIER -142.63 148.0 36.72 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.637 -0.875 . . . . 62.61 108.637 -173.008 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 2163 ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.07 -40.72 74.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.669 -0.812 . . . . 70.39 110.934 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2164 ' ' GLY . . . . . 0.436 ' H ' HG23 ' B' 2162 ' ' THR . . . -61.56 -44.7 97.63 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 119.956 -1.116 . . . . 61.95 112.845 174.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2165 ' ' GLU . . . . . 0.933 ' H ' HG22 ' B' 2162 ' ' THR . 39.9 mt-10 -64.66 -39.95 94.58 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 122.175 -0.603 . . . . 100.63 111.174 -178.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 49.9 m -65.85 -37.47 86.27 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 121.129 -0.228 . . . . 61.61 111.44 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -50.94 71.46 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.01 -0.676 . . . . 68.34 110.36 174.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 54.9 t80 -57.03 -49.6 75.3 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.216 -0.447 . . . . 54.42 111.239 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 85.1 m -61.99 -44.06 97.54 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 118.871 -1.132 . . . . 56.38 110.559 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2170 ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' 2170 ' ' LEU . 29.0 mt -59.25 -38.39 79.96 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.21 -0.596 . . . . 57.14 111.419 178.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 76.4 t80 -63.73 -40.66 97.3 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 118.471 -1.292 . . . . 58.75 110.792 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -59.09 -44.11 91.88 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.983 -0.687 . . . . 59.92 110.507 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 70.8 t -63.67 -39.83 86.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 119.679 -0.809 . . . . 59.01 110.146 -179.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2174 ' ' MET . . . . . 0.494 ' CG ' HG11 ' B' 2205 ' ' VAL . 24.6 ttp -56.74 -47.72 79.39 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.582 -0.847 . . . . 73.8 110.57 177.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 32.0 p -66.91 -5.88 14.32 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 118.391 -1.324 . . . . 58.07 112.172 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 80.1 mt 68.49 14.62 9.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.824 0.849 . . . . 56.79 112.632 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2177 ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' B' 2415 ' ' HOH . 1.1 tm-20 -76.69 108.44 9.7 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.548 -0.72 . . . . 68.77 109.217 -177.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2178 ' ' SER . . . . . 0.522 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 4.8 m 55.26 28.93 11.95 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.602 0.593 . . . . 63.44 112.602 178.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -62.64 -33.65 75.45 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 117.911 -1.515 . . . . 60.43 111.869 -173.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 36.6 t -92.61 -59.45 2.07 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.264 -0.574 . . . . 56.23 112.436 -174.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 73.9 mmm -65.26 -34.35 78.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.449 -0.5 . . . . 64.94 111.315 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2182 ' ' GLY . . . . . 0.602 ' C ' HD12 ' B' 2183 ' ' ILE . . . -90.73 -25.99 23.72 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 114.995 0.758 . . . . 59.65 114.995 -172.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2183 ' ' ILE . . . . . 0.602 HD12 ' C ' ' B' 2182 ' ' GLY . 1.8 mp -126.62 -64.29 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 117.767 0.783 . . . . 56.92 111.168 -175.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 88.9 t -71.27 -41.73 74.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 119.596 -0.841 . . . . 58.44 111.417 -165.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2185 ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -58.82 -51.05 84.59 Favored Pre-proline 0 C--O 1.245 0.859 0 C-N-CA 118.682 -1.207 . . . . 58.3 111.307 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2186 ' ' PRO . . . . . 0.469 ' HD2' ' C ' ' B' 2183 ' ' ILE . 50.7 Cg_exo -55.08 -45.04 43.73 Favored 'Trans proline' 0 N--CA 1.48 0.726 0 CA-C-N 120.508 1.217 . . . . 60.6 112.355 173.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.8 -42.14 75.19 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.644 -0.66 . . . . 60.34 111.301 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2188 ' ' MET . . . . . 0.526 ' HA ' ' O ' ' B' 2191 ' ' TYR . 65.6 mtm -69.73 -16.65 63.36 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.748 -0.781 . . . . 61.64 112.816 -174.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -67.68 -21.86 65.32 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.148 -0.621 . . . . 121.34 111.92 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 91.4 t -109.41 -38.94 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.311 0.644 . . . . 66.56 111.579 174.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2191 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' B' 2188 ' ' MET . 67.3 m-85 -118.8 90.34 40.17 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 107.641 -1.244 . . . . 60.49 107.641 179.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -62.97 -18.84 67.15 Favored 'Trans proline' 0 C--O 1.236 0.422 0 N-CA-C 114.091 0.766 . . . . 65.93 114.091 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.76 11.32 33.93 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 119.101 0.864 . . . . 88.98 112.767 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -55.9 -29.97 60.86 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.261 -0.576 . . . . 66.26 111.627 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2195 ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -60.09 -28.07 67.52 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.7 -0.4 . . . . 65.48 111.399 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2196 ' ' VAL . . . . . . . . . . . . . 89.8 t -66.66 -21.34 28.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 122.078 -0.388 . . . . 62.7 110.924 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -88.21 -52.33 5.28 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.901 0.88 . . . . 62.92 111.134 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2198 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -82.78 -31.52 28.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 113.921 1.082 . . . . 64.24 113.921 -171.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2199 ' ' ILE . . . . . 0.661 ' HB ' ' HD3' ' B' 2200 ' ' PRO . 20.7 mm -63.41 -55.54 34.62 Favored Pre-proline 0 C--O 1.243 0.757 0 C-N-CA 118.298 -1.361 . . . . 67.43 108.471 -179.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2200 ' ' PRO . . . . . 0.661 ' HD3' ' HB ' ' B' 2199 ' ' ILE . 62.2 Cg_exo -54.81 -41.19 80.5 Favored 'Trans proline' 0 C--O 1.236 0.379 0 CA-C-N 118.828 0.617 . . . . 66.23 112.259 178.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.67 -40.29 75.27 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.546 -0.462 . . . . 59.2 111.579 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2202 ' ' ILE . . . . . . . . . . . . . 64.0 mt -69.28 -38.81 78.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.334 -0.546 . . . . 61.03 110.5 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -60.65 -49.25 78.26 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.904 -0.498 . . . . 84.44 110.934 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 54.1 t -61.07 -57.66 11.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.566 0.698 . . . . 64.65 110.088 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2205 ' ' VAL . . . . . 0.834 ' HA ' ' HE1' ' B' 2137 ' ' MET . 2.6 t -55.74 -38.45 51.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 O-C-N 121.939 -0.475 . . . . 67.82 111.171 -175.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2206 ' ' ALA . . . . . . . . . . . . . . . -73.57 -46.72 45.6 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 121.548 -0.72 . . . . 65.05 110.95 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.89 -42.7 85.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.916 -0.314 . . . . 70.06 111.042 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 24.4 t -65.89 -42.49 92.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.812 -0.355 . . . . 71.98 110.983 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 54.4 mtp -71.82 -44.38 64.01 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 117.952 -1.499 . . . . 120.05 111.233 -175.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.41 -44.6 80.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.311 0.577 . . . . 67.64 110.4 175.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -75.65 -24.14 56.37 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.925 -0.485 . . . . 77.56 112.295 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2212 ' ' LEU . . . . . 0.638 HD21 ' HE3' ' B' 2130 ' ' MET . 68.7 tp -64.78 -40.64 95.59 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.055 -0.658 . . . . 89.23 110.771 169.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 58.1 t -67.84 -42.7 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.865 -0.334 . . . . 65.76 110.543 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 42.4 t -61.14 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.369 -0.533 . . . . 66.16 110.008 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.65 91.85 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.852 -0.739 . . . . 69.85 111.1 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.37 -45.92 94.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 119.539 -0.864 . . . . 69.62 109.981 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2217 ' ' ILE . . . . . 0.737 ' O ' ' HG3' ' B' 2221 ' ' MET . 87.7 mt -63.03 -53.82 41.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 O-C-N 121.999 -0.438 . . . . 73.41 110.393 179.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2218 ' ' VAL . . . . . . . . . . . . . 91.4 t -65.54 -43.9 94.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 121.78 -0.575 . . . . 73.19 111.371 -176.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.52 -28.54 68.64 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 118.374 -1.33 . . . . 83.77 111.611 -177.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.488 -0.885 . . . . 76.55 110.799 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2221 ' ' MET . . . . . 0.737 ' HG3' ' O ' ' B' 2217 ' ' ILE . 2.1 mtp -59.61 -40.08 86.35 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.38 -0.528 . . . . 131.02 110.924 177.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.33 70.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.129 0.49 . . . . 80.53 110.392 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.58 -49.55 81.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 116.359 -0.382 . . . . 88.67 110.617 177.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 57.0 mt -49.97 -46.12 52.18 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.989 -0.684 . . . . 83.76 111.073 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.28 -31.52 71.89 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 122.254 -0.279 . . . . 97.33 111.527 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -67.22 -44.16 80.22 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.728 -0.789 . . . . 127.02 110.669 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -62.95 -45.82 90.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 120.701 0.286 . . . . 105.4 111.334 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.85 -24.82 48.49 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.789 -0.764 . . . . 124.58 112.533 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2229 ' ' GLU . . . . . 0.478 ' O ' HG13 ' B' 2233 ' ' ILE . 26.5 tt0 -65.81 -38.57 89.3 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.395 -0.522 . . . . 123.23 111.027 174.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -71.4 -36.92 71.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.844 -0.742 . . . . 169.86 111.385 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.25 -41.94 93.79 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.283 -0.567 . . . . 146.18 111.134 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.17 -46.07 88.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.574 -0.451 . . . . 121.0 110.44 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2233 ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' 2229 ' ' GLU . 26.3 mt -59.72 -35.12 58.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.442 -0.503 . . . . 126.38 110.984 -178.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2234 ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -65.15 -38.26 90.01 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.281 -0.568 . . . . 141.46 111.332 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.52 -41.17 72.93 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.339 -0.544 . . . . 148.22 111.042 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -57.95 -42.93 83.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 119.89 -0.724 . . . . 146.33 110.864 170.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2237 ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' B' 2233 ' ' ILE . 79.9 mt-30 -76.27 -40.01 52.85 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.219 0.452 . . . . 150.5 112.219 -176.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 2238 ' ' SER . . . . . . . . . . . . . . . -73.62 -43.19 60.25 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.854 -0.738 . . . . 169.99 111.232 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2239 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.986 0.422 . . . . 178.98 110.724 178.858 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2301 ' ' PX4 . . . . . 0.608 ' H3 ' ' O ' ' B' 2422 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2302 ' ' PX4 . . . . . 0.637 ' H18' HD22 ' B' 2151 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2303 ' ' PX4 . . . . . 0.439 ' H35' ' H63' ' B' 2303 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2304 ' ' PX4 . . . . . 0.495 ' C11' ' HB2' ' B' 2075 ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2305 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2306 ' ' CPS . . . . . 0.766 ' C16' HG12 ' B' 2126 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2307 ' ' CPS . . . . . 0.535 ' C21' H10A ' B' 2307 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2403 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2404 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2405 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2406 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2407 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2408 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2409 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2410 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2411 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2412 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2413 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2414 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2415 ' ' HOH . . . . . 0.541 ' O ' ' HG2' ' B' 2177 ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2416 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2418 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2420 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2421 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2422 ' ' HOH . . . . . 0.608 ' O ' ' H3 ' ' B' 2301 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2423 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2424 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2425 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2426 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1999 ' ' SER . . . . . . . . . . . . . 32.0 t . . . . . 0 CA--C 1.523 -0.068 0 CA-C-O 120.611 0.243 . . . . 146.44 111.014 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2000 ' ' HIS . . . . . . . . . . . . . . . -64.03 -44.15 93.4 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 117.361 -1.736 . . . . 162.88 107.766 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -43.73 95.95 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 122.223 1.011 . . . . 152.15 110.662 -178.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.53 -42.68 99.17 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 114.012 -1.449 . . . . 124.46 109.815 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.34 -36.2 68.75 Favored 'General case' 0 C--N 1.302 -1.485 0 C-N-CA 116.315 -2.154 . . . . 111.85 111.558 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' ARG . . . . . . . . . . . . . . . -52.53 -52.26 55.61 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.476 -0.49 . . . . 102.37 111.034 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' ILE . . . . . . . . . . . . . 1.9 pt -72.49 -23.36 21.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.672 -0.811 . . . . 122.13 111.794 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' THR . . . . . . . . . . . . . 96.3 m -70.26 -35.59 73.88 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 119.691 -0.804 . . . . 102.99 111.388 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -65.9 -33.02 74.88 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.372 -0.931 . . . . 133.18 111.285 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2008 ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.31 -59.98 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 C-N-CA 120.2 -0.6 . . . . 98.05 110.106 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2009 ' ' VAL . . . . . . . . . . . . . 78.4 t -57.75 -28.88 33.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 O-C-N 122.156 -0.34 . . . . 99.91 111.499 -173.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2010 ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -91.74 -7.83 48.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.318 0.859 . . . . 118.11 113.318 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2011 ' ' SER . . . . . . . . . . . . . 92.5 p -71.27 152.28 43.44 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.882 0.848 . . . . 87.51 111.821 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2012 ' ' SER . . . . . . . . . . . . . 9.4 t -56.38 -40.46 74.61 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.074 -0.966 . . . . 102.49 110.922 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2013 ' ' PHE . . . . . . . . . . . . . 85.3 t80 -63.08 -47.11 84.29 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.712 -0.395 . . . . 138.14 111.44 -176.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2014 ' ' PHE . . . . . . . . . . . . . 56.4 t80 -52.93 -52.14 58.91 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.583 -0.447 . . . . 96.62 111.034 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2015 ' ' THR . . . . . . . . . . . . . 32.8 m -61.4 -45.29 94.96 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.537 -0.865 . . . . 93.71 111.047 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2016 ' ' LYS . . . . . . . . . . . . . 93.3 mttt -59.33 -46.44 88.59 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.105 -0.638 . . . . 105.57 111.26 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2017 ' ' PHE . . . . . . . . . . . . . 82.0 t80 -50.39 -57.18 8.55 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 120.909 0.385 . . . . 105.8 111.476 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2018 ' ' ILE . . . . . . . . . . . . . 19.3 mm -51.63 -47.15 38.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 O-C-N 122.136 -0.353 . . . . 79.85 110.727 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2019 ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.44 -45.45 98.6 Favored 'Isoleucine or valine' 0 C--O 1.242 0.672 0 C-N-CA 120.064 -0.654 . . . . 78.83 110.501 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2020 ' ' TYR . . . . . . . . . . . . . 73.1 t80 -48.24 -51.52 25.14 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 122.062 -0.399 . . . . 140.67 110.933 171.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2021 ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.04 -49.2 78.58 Favored 'General case' 0 C--O 1.237 0.415 0 O-C-N 122.06 -0.4 . . . . 96.1 111.302 179.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2022 ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.17 -42.7 36.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 120.419 -0.513 . . . . 81.93 110.474 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2023 ' ' VAL . . . . . . . . . . . . . 39.1 t -70.03 -51.56 38.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 C-N-CA 120.16 -0.616 . . . . 83.98 110.487 -178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2024 ' ' LEU . . . . . . . . . . . . . 4.4 mp -50.41 -51.44 46.35 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.259 -0.576 . . . . 98.38 111.066 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2025 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -62.68 -34.77 77.79 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.301 -0.559 . . . . 86.56 111.223 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2026 ' ' GLY . . . . . . . . . . . . . . . -62.32 -48.41 82.64 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.867 -1.159 . . . . 67.65 111.941 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2027 ' ' ILE . . . . . . . . . . . . . 96.0 mt -55.39 -47.82 77.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.281 0.562 . . . . 82.36 110.334 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2028 ' ' THR . . . . . 0.634 HG23 ' CG2' ' B' 2045 ' ' THR . 1.0 OUTLIER -56.31 -44.05 79.53 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.093 -0.379 . . . . 86.18 111.976 179.583 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2029 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -32.07 72.43 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.947 -0.701 . . . . 110.81 111.697 -177.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2030 ' ' GLY . . . . . 0.535 ' O ' ' HB ' ' B' 2033 ' ' THR . . . -72.57 -41.47 51.03 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 119.988 -1.101 . . . . 93.57 112.562 177.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2031 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.38 -41.23 88.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.015 -0.697 . . . . 81.63 111.176 176.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2032 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.16 -7.15 1.72 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 121.987 -0.445 . . . . 119.21 111.798 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2033 ' ' THR . . . . . 0.535 ' HB ' ' O ' ' B' 2030 ' ' GLY . 1.5 m -75.82 -27.91 58.09 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.061 0.393 . . . . 83.9 112.061 175.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2034 ' ' SER . . . . . . . . . . . . . 3.0 t -83.37 118.29 23.6 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.75 -0.463 . . . . 85.34 109.75 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2035 ' ' LYS . . . . . . . . . . . . . . . -58.86 -39.94 82.85 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.205 -0.598 . . . . 85.03 110.996 173.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2036 ' ' THR . . . . . . . . . . . . . 14.6 m -56.41 -54.1 49.62 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.55 -0.46 . . . . 104.95 110.766 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2037 ' ' PHE . . . . . . . . . . . . . 73.6 t80 -57.09 -40.15 76.41 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.946 -0.702 . . . . 92.86 111.413 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2038 ' ' MET . . . . . . . . . . . . . 53.0 mmm -65.55 -34.83 79.17 Favored 'General case' 0 C--O 1.199 -1.56 0 N-CA-C 114.721 1.378 . . . . 100.52 114.721 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2039 ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -61.31 -37.24 82.53 Favored 'General case' 0 N--CA 1.42 -1.971 0 C-N-CA 119.256 -0.978 . . . . 118.73 109.723 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2040 ' ' SER . . . . . . . . . . . . . 24.9 m -85.56 -44.7 12.43 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.819 -0.628 . . . . 129.98 111.998 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2041 ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.3 9.62 7.31 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 113.509 0.929 . . . . 120.21 113.509 -169.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2042 ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.64 49.12 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 120.235 -0.983 . . . . 102.13 113.159 178.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2043 ' ' VAL . . . . . . . . . . . . . . . -59.22 -48.32 87.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.983 -0.716 . . . . 111.58 110.296 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2044 ' ' TYR . . . . . . . . . . . . . . . -52.43 -47.41 66.38 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.167 0.508 . . . . 128.38 111.326 176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2045 ' ' THR . . . . . 0.634 ' CG2' HG23 ' B' 2028 ' ' THR . 4.6 m -72.38 -40.84 66.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.546 -0.462 . . . . 128.86 111.957 -169.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2046 ' ' THR . . . . . . . . . . . . . 27.5 m -60.2 -40.23 89.37 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.148 -0.621 . . . . 124.71 111.253 -175.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2047 ' ' LEU . . . . . 0.47 ' O ' HG13 ' B' 2051 ' ' ILE . . . -72.13 -37.25 69.48 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.053 -0.659 . . . . 130.21 111.026 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2048 ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.24 -36.72 75.96 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.802 -0.759 . . . . 109.96 111.133 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2049 ' ' ASN . . . . . 0.477 ' O ' HG22 ' B' 2053 ' ' ILE . 69.6 m-80 -67.18 -40.76 86.61 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.734 -0.786 . . . . 113.63 111.117 174.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2050 ' ' GLN . . . . . 0.411 ' HA ' HG22 ' B' 2053 ' ' ILE . 5.6 tp60 -64.12 -35.78 81.87 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.702 -0.799 . . . . 160.95 111.298 174.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2051 ' ' ILE . . . . . 0.47 HG13 ' O ' ' B' 2047 ' ' LEU . 30.0 mt -69.79 -49.04 60.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.063 0.458 . . . . 99.6 110.519 179.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2052 ' ' VAL . . . . . . . . . . . . . 4.5 t -55.79 -48.18 78.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.263 -0.575 . . . . 92.19 110.291 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2053 ' ' ILE . . . . . 0.477 HG22 ' O ' ' B' 2049 ' ' ASN . 6.0 tt -64.52 -37.74 80.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.169 -0.612 . . . . 116.2 110.568 -177.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2054 ' ' THR . . . . . . . . . . . . . 18.1 m -57.22 -50.15 73.77 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.073 -0.651 . . . . 97.26 110.479 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2055 ' ' ILE . . . . . . . . . . . . . 30.9 mt -59.03 -46.78 91.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 C-N-CA 120.561 -0.456 . . . . 94.77 110.313 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2056 ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -61.31 -30.94 70.8 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.3 -0.56 . . . . 106.37 111.751 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2057 ' ' THR . . . . . 0.417 ' O ' HG13 ' B' 2061 ' ' ILE . 78.6 m -71.7 -46.54 58.42 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.751 -0.78 . . . . 90.29 110.708 177.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2058 ' ' ILE . . . . . . . . . . . . . 51.1 mm -52.06 -40.89 30.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-O 121.17 0.51 . . . . 93.78 110.364 172.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2059 ' ' GLU . . . . . 0.606 ' OE1' ' NH2' ' B' 2108 ' ' ARG . 16.4 tt0 -64.61 -52.97 54.72 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.459 -0.497 . . . . 110.13 111.121 -178.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2060 ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.95 -46.16 76.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.246 -0.582 . . . . 97.06 110.054 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2061 ' ' ILE . . . . . 0.417 HG13 ' O ' ' B' 2057 ' ' THR . 58.7 mt -56.0 -57.07 9.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.399 0.618 . . . . 95.04 110.158 178.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2062 ' ' LEU . . . . . . . . . . . . . 93.6 mt -55.94 -42.97 76.96 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 120.416 -0.514 . . . . 97.51 111.367 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2063 ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -60.43 -32.31 71.24 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.017 -0.673 . . . . 88.66 111.428 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2064 ' ' ILE . . . . . . . . . . . . . 68.8 mt -75.17 -42.89 44.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.62 -0.432 . . . . 97.13 111.084 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2065 ' ' TYR . . . . . . . . . . . . . . . -60.58 -25.89 66.55 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.185 -1.006 . . . . 113.57 111.354 175.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2066 ' ' VAL . . . . . . . . . . . . . 26.8 t -82.63 -52.54 13.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.838 0.351 . . . . 101.98 110.988 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2067 ' ' HIS . . . . . . . . . . . . . 77.3 m80 -86.57 -15.21 40.59 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.549 0.944 . . . . 98.43 113.549 -174.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2068 ' ' ARG . . . . . . . . . . . . . . . 58.97 -127.24 1.33 Allowed 'General case' 0 C--O 1.24 0.559 0 N-CA-C 107.411 -1.329 . . . . 98.62 107.411 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2069 ' ' ILE . . . . . . . . . . . . . . . -71.46 -28.0 30.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 119.69 1.132 . . . . 118.31 111.331 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2070 ' ' SER . . . . . . . . . . . . . 25.5 m -60.84 -15.73 33.47 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 121.608 -0.682 . . . . 120.15 112.814 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2071 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.12 -44.97 67.85 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 118.479 0.582 . . . . 97.61 111.457 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2072 ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -85.39 -5.29 59.31 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 113.1 0.778 . . . . 116.77 113.1 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2073 ' ' LYS . . . . . . . . . . . . . . . -94.96 10.17 36.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.19 0.45 . . . . 100.07 111.923 168.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2074 ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' 2077 ' ' SER . 1.8 t0 -111.85 115.05 51.36 Favored Pre-proline 0 C--O 1.243 0.722 0 C-N-CA 123.731 0.812 . . . . 101.81 109.308 -178.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2075 ' ' PRO . . . . . 0.495 ' HB2' ' C11' ' B' 2304 ' ' PX4 . 35.7 Cg_exo -58.6 -40.45 73.63 Favored 'Trans proline' 0 C--O 1.239 0.554 0 CA-C-N 119.177 0.742 . . . . 100.35 113.063 -178.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2076 ' ' TRP . . . . . . . . . . . . . 52.6 m95 -61.8 -40.28 94.68 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.717 -0.393 . . . . 85.29 111.34 -179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2077 ' ' SER . . . . . 0.449 ' N ' ' OD1' ' B' 2074 ' ' ASP . 6.6 m -72.63 -44.5 61.84 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.285 -0.566 . . . . 79.94 110.92 179.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2078 ' ' LEU . . . . . . . . . . . . . 91.8 mt -48.63 -48.27 39.58 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.377 -0.529 . . . . 86.53 110.76 171.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2079 ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.36 -46.81 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.195 -0.602 . . . . 87.12 111.121 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2080 ' ' ASP . . . . . 0.408 ' O ' HG23 ' B' 2084 ' ' VAL . 6.7 m-20 -60.33 -39.91 88.74 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.49 -0.884 . . . . 108.91 110.512 177.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2081 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -60.12 -57.87 10.99 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.352 0.596 . . . . 83.48 110.332 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2082 ' ' PHE . . . . . 0.652 ' CE1' HD11 ' B' 2086 ' ' ILE . 0.3 OUTLIER -59.81 -36.19 76.26 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.203 -0.453 . . . . 130.57 111.615 -175.136 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2083 ' ' VAL . . . . . 0.917 HG11 ' HA ' ' B' 2105 ' ' ARG . 1.6 t -75.33 -41.14 43.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 C-N-CA 119.771 -0.772 . . . . 94.93 111.249 -179.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2084 ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' 2080 ' ' ASP . 84.5 t -67.42 -33.97 65.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 119.134 -1.027 . . . . 88.42 110.33 178.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2085 ' ' ALA . . . . . . . . . . . . . . . -67.25 -45.23 77.31 Favored 'General case' 0 C--O 1.238 0.447 0 O-C-N 122.027 -0.421 . . . . 95.4 111.335 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2086 ' ' ILE . . . . . 0.652 HD11 ' CE1' ' B' 2082 ' ' PHE . 85.2 mt -47.08 -52.59 4.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.55 0.691 . . . . 98.92 110.134 171.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2087 ' ' SER . . . . . 0.543 ' OG ' ' NH2' ' B' 2105 ' ' ARG . 7.7 t -60.54 -9.68 4.07 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.547 0.573 . . . . 113.07 112.547 -177.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2088 ' ' LEU . . . . . . . . . . . . . 20.6 mt -96.0 -12.28 25.21 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.568 0.951 . . . . 120.03 113.568 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2089 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.26 128.22 91.58 Favored Pre-proline 0 C--O 1.245 0.846 0 N-CA-C 109.088 -0.708 . . . . 112.55 109.088 175.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2090 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.72 148.47 82.96 Favored 'Trans proline' 0 C--O 1.234 0.304 0 CA-C-N 119.285 0.781 . . . . 117.56 112.43 -175.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2091 ' ' THR . . . . . . . . . . . . . 8.3 m -56.18 -29.45 60.86 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 114.922 -1.036 . . . . 140.42 112.094 -174.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2092 ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.877 0.37 . . . . 141.23 111.347 179.535 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2096 ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.476 0.655 . . . . 108.72 110.161 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2097 ' ' ILE . . . . . . . . . . . . . 20.6 tt -55.19 -30.83 25.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 115.477 -0.783 . . . . 116.7 110.446 175.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2098 ' ' LEU . . . . . . . . . . . . . 67.7 mt -66.33 -36.42 82.86 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.117 -0.633 . . . . 102.69 111.627 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2099 ' ' ARG . . . . . . . . . . . . . . . -52.94 -37.63 61.18 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.508 -0.877 . . . . 81.84 110.742 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2100 ' ' VAL . . . . . 0.565 ' O ' HG12 ' B' 2103 ' ' VAL . 45.4 t -76.1 -40.57 37.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 120.789 -0.365 . . . . 82.95 110.795 179.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2101 ' ' LEU . . . . . . . . . . . . . 25.9 mt -60.79 -17.65 50.52 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.67 -0.643 . . . . 85.51 112.371 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2102 ' ' ARG . . . . . 0.533 ' HG2' ' HA ' ' B' 2087 ' ' SER . 96.5 mtt180 -55.96 -31.96 63.44 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.202 -0.599 . . . . 117.82 111.739 178.228 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2103 ' ' VAL . . . . . 0.565 HG12 ' O ' ' B' 2100 ' ' VAL . 10.6 p -65.03 -16.87 20.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.601 -0.44 . . . . 80.78 111.479 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2104 ' ' LEU . . . . . . . . . . . . . 76.5 mt -58.49 -23.13 57.15 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.921 -0.712 . . . . 81.05 111.992 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2105 ' ' ARG . . . . . 0.917 ' HA ' HG11 ' B' 2083 ' ' VAL . 8.0 ptp85 -61.3 -12.94 15.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 119.316 -0.954 . . . . 94.83 112.33 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2106 ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.32 -23.32 60.24 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.217 -0.993 . . . . 82.27 112.119 173.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2107 ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -62.68 -16.77 58.72 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 118.981 -1.088 . . . . 74.13 111.171 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2108 ' ' ARG . . . . . 0.606 ' NH2' ' OE1' ' B' 2059 ' ' GLU . 0.0 OUTLIER -54.74 -24.78 23.86 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.998 -0.281 . . . . 111.91 111.738 172.453 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2109 ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.48 -22.2 66.07 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 120.737 -0.385 . . . . 81.3 111.737 171.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2110 ' ' VAL . . . . . . . . . . . . . 76.9 t -80.74 -47.5 20.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 120.945 0.402 . . . . 88.94 110.598 172.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2111 ' ' THR . . . . . . . . . . . . . 28.7 p -68.75 -14.43 63.02 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 113.058 0.762 . . . . 96.05 113.058 -175.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2112 ' ' ALA . . . . . . . . . . . . . . . -103.73 -13.51 16.44 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.741 1.015 . . . . 95.43 113.741 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2113 ' ' VAL . . . . . . . . . . . . . 94.3 t -106.64 114.52 61.81 Favored Pre-proline 0 C--O 1.24 0.602 0 N-CA-C 108.179 -1.045 . . . . 87.18 108.179 -177.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2114 ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -57.13 -43.4 53.63 Favored 'Trans proline' 0 C--O 1.238 0.506 0 CA-C-N 119.157 0.735 . . . . 85.41 113.724 -173.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2115 ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -51.13 -44.1 61.29 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.691 -0.404 . . . . 131.85 111.543 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2116 ' ' MET . . . . . . . . . . . . . 20.5 mmt -69.08 -44.22 72.96 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.613 -0.435 . . . . 113.88 111.618 -178.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2117 ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -47.67 -50.44 24.75 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.928 0.394 . . . . 140.22 111.075 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2118 ' ' LYS . . . . . . . . . . . . . . . -60.99 -43.86 98.25 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.677 -0.238 . . . . 79.75 111.316 -175.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2119 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.52 -53.38 25.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.589 0.709 . . . . 87.07 110.196 176.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2120 ' ' VAL . . . . . . . . . . . . . 87.1 t -65.0 -39.83 87.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 C-N-CA 120.022 -0.671 . . . . 78.65 110.435 -176.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2121 ' ' SER . . . . . . . . . . . . . 60.5 m -58.15 -49.91 75.35 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.107 -0.637 . . . . 92.21 110.95 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2122 ' ' ALA . . . . . . . . . . . . . . . -54.32 -52.41 61.61 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.873 0.368 . . . . 77.32 111.496 177.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2123 ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.61 -43.25 99.21 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.833 -0.747 . . . . 84.33 111.025 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2124 ' ' ILE . . . . . . . . . . . . . 58.9 mt -63.58 -28.2 44.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 O-C-N 122.243 -0.285 . . . . 108.41 111.155 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2125 ' ' SER . . . . . . . . . . . . . 89.4 p -68.11 -22.67 64.88 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 119.956 -0.697 . . . . 77.14 112.27 -167.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2126 ' ' VAL . . . . . 0.766 HG12 ' C16' ' B' 2306 ' ' CPS . 0.9 OUTLIER -70.94 -20.45 21.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 C-N-CA 119.399 -0.92 . . . . 79.47 111.759 175.432 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2127 ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.52 -47.68 34.99 Favored Pre-proline 0 C--O 1.237 0.447 0 O-C-N 121.686 -0.634 . . . . 70.95 111.311 -166.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2128 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -51.95 -43.43 52.19 Favored 'Trans proline' 0 N--CA 1.477 0.553 0 CA-C-N 120.416 1.184 . . . . 83.64 113.538 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2129 ' ' GLY . . . . . . . . . . . . . . . -65.43 -19.22 66.42 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 120.536 -0.84 . . . . 124.6 114.629 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2130 ' ' MET . . . . . 0.638 ' HE3' HD21 ' B' 2212 ' ' LEU . 66.6 mtp -89.14 -10.37 47.49 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 118.231 1.016 . . . . 86.86 113.7 -178.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2131 ' ' LEU . . . . . . . . . . . . . 22.0 mt -53.48 -47.56 69.68 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.175 0.443 . . . . 98.63 112.038 -170.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2132 ' ' SER . . . . . . . . . . . . . 91.8 p -63.35 -41.69 98.87 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.097 -1.041 . . . . 95.8 111.219 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2133 ' ' VAL . . . . . . . . . . . . . 86.7 t -62.82 -38.69 82.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 C-N-CA 119.865 -0.734 . . . . 68.18 110.003 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2134 ' ' ILE . . . . . . . . . . . . . 69.7 mt -60.9 -44.9 98.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 O-C-N 121.843 -0.536 . . . . 79.98 110.323 174.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2135 ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.32 82.14 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.008 0.432 . . . . 68.99 111.467 175.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2136 ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.74 -42.15 95.39 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.652 -0.419 . . . . 70.46 111.279 -178.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2137 ' ' MET . . . . . 0.834 ' HE1' ' HA ' ' B' 2205 ' ' VAL . 2.9 tpt -62.78 -40.8 98.44 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.818 -0.353 . . . . 114.85 110.689 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2138 ' ' THR . . . . . . . . . . . . . 87.8 m -67.79 -43.28 80.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.654 -0.248 . . . . 74.06 110.908 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2139 ' ' LEU . . . . . . . . . . . . . 56.9 tp -55.63 -42.67 75.3 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.736 -0.785 . . . . 64.81 110.63 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2140 ' ' PHE . . . . . . . . . . . . . 62.6 t80 -59.61 -52.29 66.17 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.927 0.394 . . . . 62.24 111.081 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2141 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.68 -47.37 70.51 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.365 -0.534 . . . . 66.66 110.912 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2142 ' ' TYR . . . . . . . . . . . . . 84.3 t80 -60.32 -45.53 93.1 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.876 0.37 . . . . 66.91 111.195 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2143 ' ' ILE . . . . . . . . . . . . . 59.5 mt -61.95 -47.89 91.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 CA-C-O 121.464 0.65 . . . . 65.22 110.262 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2144 ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -68.3 -33.05 73.63 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 118.969 -1.093 . . . . 72.11 111.566 -178.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2145 ' ' ALA . . . . . . . . . . . . . . . -62.59 -45.39 93.11 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.927 -0.709 . . . . 67.1 110.628 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2146 ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.69 -47.09 83.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 C-N-CA 120.071 -0.652 . . . . 70.76 110.295 175.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2147 ' ' MET . . . . . . . . . . . . . 80.6 mtp -63.14 -48.02 80.22 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.677 -0.809 . . . . 79.36 111.065 -178.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2148 ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.14 91.41 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.752 -0.779 . . . . 58.19 110.82 -179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2149 ' ' THR . . . . . . . . . . . . . 53.9 m -56.85 -40.43 76.1 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 118.977 -1.089 . . . . 69.48 110.406 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2150 ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -75.04 -37.73 61.64 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.575 -0.45 . . . . 90.54 111.583 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2151 ' ' LEU . . . . . 0.637 HD22 ' H18' ' B' 2302 ' ' PX4 . 93.1 mt -74.19 -43.41 57.36 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.128 -0.629 . . . . 62.35 111.764 -177.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2152 ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.45 -8.32 8.6 Favored 'General case' 0 C--O 1.239 0.506 0 N-CA-C 115.149 1.537 . . . . 62.17 115.149 -165.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2153 ' ' GLY . . . . . . . . . . . . . . . -64.57 -28.14 72.8 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 119.946 -1.121 . . . . 68.41 114.038 -172.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2154 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -72.56 -45.25 60.13 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.138 -0.625 . . . . 132.27 111.521 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2155 ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -87.59 -15.53 37.11 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.268 0.84 . . . . 116.02 113.268 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2156 ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -135.79 66.45 62.71 Favored Pre-proline 0 C--O 1.241 0.617 0 N-CA-C 108.91 -0.774 . . . . 59.71 108.91 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2157 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.68 -42.11 27.64 Favored 'Trans proline' 0 CA--C 1.517 -0.348 0 N-CA-C 113.836 0.668 . . . . 59.8 113.836 -175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2158 ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -52.87 -41.89 64.73 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 119.444 -0.902 . . . . 90.54 111.319 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2159 ' ' TRP . . . . . . . . . . . . . 40.4 m0 -92.36 -24.2 18.99 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 113.8 1.037 . . . . 55.63 113.8 -174.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2160 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -147.79 4.41 0.75 Allowed 'General case' 0 C--O 1.238 0.463 0 N-CA-C 113.882 1.067 . . . . 55.22 113.882 -170.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2161 ' ' GLY . . . . . . . . . . . . . . . -66.86 -11.18 57.46 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.711 1.141 . . . . 70.77 114.351 -175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2162 ' ' THR . . . . . 0.933 HG22 ' H ' ' B' 2165 ' ' GLU . 0.6 OUTLIER -142.63 148.0 36.72 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.637 -0.875 . . . . 62.61 108.637 -173.008 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 2163 ' ' LEU . . . . . . . . . . . . . 32.5 tp -56.07 -40.72 74.01 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.669 -0.812 . . . . 70.39 110.934 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2164 ' ' GLY . . . . . 0.436 ' H ' HG23 ' B' 2162 ' ' THR . . . -61.56 -44.7 97.63 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 119.956 -1.116 . . . . 61.95 112.845 174.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2165 ' ' GLU . . . . . 0.933 ' H ' HG22 ' B' 2162 ' ' THR . 39.9 mt-10 -64.66 -39.95 94.58 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 122.175 -0.603 . . . . 100.63 111.174 -178.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2166 ' ' SER . . . . . . . . . . . . . 49.9 m -65.85 -37.47 86.27 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 121.129 -0.228 . . . . 61.61 111.44 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2167 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -50.94 71.46 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.01 -0.676 . . . . 68.34 110.36 174.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2168 ' ' TYR . . . . . . . . . . . . . 54.9 t80 -57.03 -49.6 75.3 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.216 -0.447 . . . . 54.42 111.239 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2169 ' ' THR . . . . . . . . . . . . . 85.1 m -61.99 -44.06 97.54 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 118.871 -1.132 . . . . 56.38 110.559 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2170 ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' 2170 ' ' LEU . 29.0 mt -59.25 -38.39 79.96 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 120.21 -0.596 . . . . 57.14 111.419 178.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2171 ' ' PHE . . . . . . . . . . . . . 76.4 t80 -63.73 -40.66 97.3 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 118.471 -1.292 . . . . 58.75 110.792 175.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2172 ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -59.09 -44.11 91.88 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.983 -0.687 . . . . 59.92 110.507 176.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2173 ' ' VAL . . . . . . . . . . . . . 70.8 t -63.67 -39.83 86.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 119.679 -0.809 . . . . 59.01 110.146 -179.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2174 ' ' MET . . . . . 0.494 ' CG ' HG11 ' B' 2205 ' ' VAL . 24.6 ttp -56.74 -47.72 79.39 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.582 -0.847 . . . . 73.8 110.57 177.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2175 ' ' THR . . . . . . . . . . . . . 32.0 p -66.91 -5.88 14.32 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 118.391 -1.324 . . . . 58.07 112.172 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2176 ' ' LEU . . . . . . . . . . . . . 80.1 mt 68.49 14.62 9.12 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.824 0.849 . . . . 56.79 112.632 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2177 ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' B' 2415 ' ' HOH . 1.1 tm-20 -76.69 108.44 9.7 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.548 -0.72 . . . . 68.77 109.217 -177.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2178 ' ' SER . . . . . 0.522 ' OG ' ' OE1' ' B' 2177 ' ' GLU . 4.8 m 55.26 28.93 11.95 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.602 0.593 . . . . 63.44 112.602 178.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2179 ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -62.64 -33.65 75.45 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 117.911 -1.515 . . . . 60.43 111.869 -173.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2180 ' ' SER . . . . . . . . . . . . . 36.6 t -92.61 -59.45 2.07 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.264 -0.574 . . . . 56.23 112.436 -174.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2181 ' ' MET . . . . . . . . . . . . . 73.9 mmm -65.26 -34.35 78.15 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.449 -0.5 . . . . 64.94 111.315 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2182 ' ' GLY . . . . . 0.602 ' C ' HD12 ' B' 2183 ' ' ILE . . . -90.73 -25.99 23.72 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 114.995 0.758 . . . . 59.65 114.995 -172.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2183 ' ' ILE . . . . . 0.602 HD12 ' C ' ' B' 2182 ' ' GLY . 1.8 mp -126.62 -64.29 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-N 117.767 0.783 . . . . 56.92 111.168 -175.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2184 ' ' VAL . . . . . . . . . . . . . 88.9 t -71.27 -41.73 74.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 C-N-CA 119.596 -0.841 . . . . 58.44 111.417 -165.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2185 ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -58.82 -51.05 84.59 Favored Pre-proline 0 C--O 1.245 0.859 0 C-N-CA 118.682 -1.207 . . . . 58.3 111.307 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2186 ' ' PRO . . . . . 0.469 ' HD2' ' C ' ' B' 2183 ' ' ILE . 50.7 Cg_exo -55.08 -45.04 43.73 Favored 'Trans proline' 0 N--CA 1.48 0.726 0 CA-C-N 120.508 1.217 . . . . 60.6 112.355 173.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2187 ' ' LEU . . . . . . . . . . . . . 1.1 mp -55.8 -42.14 75.19 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 121.644 -0.66 . . . . 60.34 111.301 175.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2188 ' ' MET . . . . . 0.526 ' HA ' ' O ' ' B' 2191 ' ' TYR . 65.6 mtm -69.73 -16.65 63.36 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.748 -0.781 . . . . 61.64 112.816 -174.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2189 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -67.68 -21.86 65.32 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 120.148 -0.621 . . . . 121.34 111.92 174.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2190 ' ' VAL . . . . . . . . . . . . . 91.4 t -109.41 -38.94 3.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.311 0.644 . . . . 66.56 111.579 174.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2191 ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' B' 2188 ' ' MET . 67.3 m-85 -118.8 90.34 40.17 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 107.641 -1.244 . . . . 60.49 107.641 179.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2192 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -62.97 -18.84 67.15 Favored 'Trans proline' 0 C--O 1.236 0.422 0 N-CA-C 114.091 0.766 . . . . 65.93 114.091 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2193 ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -95.76 11.32 33.93 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 119.101 0.864 . . . . 88.98 112.767 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2194 ' ' ALA . . . . . . . . . . . . . . . -55.9 -29.97 60.86 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.261 -0.576 . . . . 66.26 111.627 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2195 ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -60.09 -28.07 67.52 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.7 -0.4 . . . . 65.48 111.399 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2196 ' ' VAL . . . . . . . . . . . . . 89.8 t -66.66 -21.34 28.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 122.078 -0.388 . . . . 62.7 110.924 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2197 ' ' PHE . . . . . . . . . . . . . 61.7 t80 -88.21 -52.33 5.28 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 123.901 0.88 . . . . 62.92 111.134 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2198 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -82.78 -31.52 28.21 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 113.921 1.082 . . . . 64.24 113.921 -171.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2199 ' ' ILE . . . . . 0.661 ' HB ' ' HD3' ' B' 2200 ' ' PRO . 20.7 mm -63.41 -55.54 34.62 Favored Pre-proline 0 C--O 1.243 0.757 0 C-N-CA 118.298 -1.361 . . . . 67.43 108.471 -179.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2200 ' ' PRO . . . . . 0.661 ' HD3' ' HB ' ' B' 2199 ' ' ILE . 62.2 Cg_exo -54.81 -41.19 80.5 Favored 'Trans proline' 0 C--O 1.236 0.379 0 CA-C-N 118.828 0.617 . . . . 66.23 112.259 178.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2201 ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.67 -40.29 75.27 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.546 -0.462 . . . . 59.2 111.579 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2202 ' ' ILE . . . . . . . . . . . . . 64.0 mt -69.28 -38.81 78.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.334 -0.546 . . . . 61.03 110.5 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2203 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -60.65 -49.25 78.26 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.904 -0.498 . . . . 84.44 110.934 178.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2204 ' ' VAL . . . . . . . . . . . . . 54.1 t -61.07 -57.66 11.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.566 0.698 . . . . 64.65 110.088 -177.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2205 ' ' VAL . . . . . 0.834 ' HA ' ' HE1' ' B' 2137 ' ' MET . 2.6 t -55.74 -38.45 51.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 O-C-N 121.939 -0.475 . . . . 67.82 111.171 -175.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2206 ' ' ALA . . . . . . . . . . . . . . . -73.57 -46.72 45.6 Favored 'General case' 0 C--O 1.239 0.501 0 O-C-N 121.548 -0.72 . . . . 65.05 110.95 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2207 ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.89 -42.7 85.22 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.916 -0.314 . . . . 70.06 111.042 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2208 ' ' VAL . . . . . . . . . . . . . 24.4 t -65.89 -42.49 92.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.812 -0.355 . . . . 71.98 110.983 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2209 ' ' MET . . . . . . . . . . . . . 54.4 mtp -71.82 -44.38 64.01 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 117.952 -1.499 . . . . 120.05 111.233 -175.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2210 ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.41 -44.6 80.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.311 0.577 . . . . 67.64 110.4 175.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2211 ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -75.65 -24.14 56.37 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.925 -0.485 . . . . 77.56 112.295 -175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2212 ' ' LEU . . . . . 0.638 HD21 ' HE3' ' B' 2130 ' ' MET . 68.7 tp -64.78 -40.64 95.59 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 120.055 -0.658 . . . . 89.23 110.771 169.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2213 ' ' VAL . . . . . . . . . . . . . 58.1 t -67.84 -42.7 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 120.865 -0.334 . . . . 65.76 110.543 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2214 ' ' VAL . . . . . . . . . . . . . 42.4 t -61.14 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 120.369 -0.533 . . . . 66.16 110.008 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2215 ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.65 91.85 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.852 -0.739 . . . . 69.85 111.1 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2216 ' ' ILE . . . . . . . . . . . . . 72.9 mt -64.37 -45.92 94.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 119.539 -0.864 . . . . 69.62 109.981 -178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2217 ' ' ILE . . . . . 0.737 ' O ' ' HG3' ' B' 2221 ' ' MET . 87.7 mt -63.03 -53.82 41.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 O-C-N 121.999 -0.438 . . . . 73.41 110.393 179.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2218 ' ' VAL . . . . . . . . . . . . . 91.4 t -65.54 -43.9 94.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 O-C-N 121.78 -0.575 . . . . 73.19 111.371 -176.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2219 ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -66.52 -28.54 68.64 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 118.374 -1.33 . . . . 83.77 111.611 -177.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2220 ' ' ALA . . . . . . . . . . . . . . . -67.96 -43.69 78.46 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.488 -0.885 . . . . 76.55 110.799 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2221 ' ' MET . . . . . 0.737 ' HG3' ' O ' ' B' 2217 ' ' ILE . 2.1 mtp -59.61 -40.08 86.35 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.38 -0.528 . . . . 131.02 110.924 177.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2222 ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.33 70.12 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.129 0.49 . . . . 80.53 110.392 176.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2223 ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.58 -49.55 81.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-N 116.359 -0.382 . . . . 88.67 110.617 177.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2224 ' ' LEU . . . . . . . . . . . . . 57.0 mt -49.97 -46.12 52.18 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.989 -0.684 . . . . 83.76 111.073 175.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2225 ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -67.28 -31.52 71.89 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 122.254 -0.279 . . . . 97.33 111.527 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2226 ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -67.22 -44.16 80.22 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.728 -0.789 . . . . 127.02 110.669 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2227 ' ' LYS . . . . . . . . . . . . . . . -62.95 -45.82 90.66 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 120.701 0.286 . . . . 105.4 111.334 -177.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2228 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -77.85 -24.82 48.49 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.789 -0.764 . . . . 124.58 112.533 -178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2229 ' ' GLU . . . . . 0.478 ' O ' HG13 ' B' 2233 ' ' ILE . 26.5 tt0 -65.81 -38.57 89.3 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.395 -0.522 . . . . 123.23 111.027 174.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2230 ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -71.4 -36.92 71.55 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.844 -0.742 . . . . 169.86 111.385 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2231 ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.25 -41.94 93.79 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.283 -0.567 . . . . 146.18 111.134 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2232 ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.17 -46.07 88.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 120.574 -0.451 . . . . 121.0 110.44 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2233 ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' 2229 ' ' GLU . 26.3 mt -59.72 -35.12 58.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.442 -0.503 . . . . 126.38 110.984 -178.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2234 ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -65.15 -38.26 90.01 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.281 -0.568 . . . . 141.46 111.332 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2235 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.52 -41.17 72.93 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.339 -0.544 . . . . 148.22 111.042 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2236 ' ' VAL . . . . . . . . . . . . . . . -57.95 -42.93 83.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 119.89 -0.724 . . . . 146.33 110.864 170.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2237 ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' B' 2233 ' ' ILE . 79.9 mt-30 -76.27 -40.01 52.85 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 112.219 0.452 . . . . 150.5 112.219 -176.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 2238 ' ' SER . . . . . . . . . . . . . . . -73.62 -43.19 60.25 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.854 -0.738 . . . . 169.99 111.232 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2239 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.986 0.422 . . . . 178.98 110.724 178.858 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2301 ' ' PX4 . . . . . 0.608 ' H3 ' ' O ' ' B' 2422 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2302 ' ' PX4 . . . . . 0.637 ' H18' HD22 ' B' 2151 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2303 ' ' PX4 . . . . . 0.439 ' H35' ' H63' ' B' 2303 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2304 ' ' PX4 . . . . . 0.495 ' C11' ' HB2' ' B' 2075 ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2305 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2306 ' ' CPS . . . . . 0.766 ' C16' HG12 ' B' 2126 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2307 ' ' CPS . . . . . 0.535 ' C21' H10A ' B' 2307 ' ' CPS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2401 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2402 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2403 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2404 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2405 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2406 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2407 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2408 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2409 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2410 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2411 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2412 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2413 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2414 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2415 ' ' HOH . . . . . 0.541 ' O ' ' HG2' ' B' 2177 ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2416 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2418 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2420 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2421 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2422 ' ' HOH . . . . . 0.608 ' O ' ' H3 ' ' B' 2301 ' ' PX4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2423 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2424 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2425 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2426 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_