data_2avp_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2avp _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.536 0 N-CA-C 117.736 2.495 . . . . 49.26 117.736 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -56.11 -41.21 74.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 120.412 -1.43 . . . . 81.42 113.643 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.56 -41.44 72.44 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 123.064 0.546 . . . . 41.41 112.245 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -59.37 -42.15 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 118.841 -1.143 . . . . 55.36 111.651 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.62 -46.74 84.33 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 119.004 -0.522 . . . . 38.49 109.906 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.78 -38.64 88.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 116.979 -1.486 . . . . 46.18 113.11 175.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -46.18 83.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 125.03 1.456 . . . . 45.39 111.152 169.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.29 -45.56 57.95 Favored Glycine 0 N--CA 1.474 1.221 0 N-CA-C 115.063 0.785 . . . . 32.19 115.063 173.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . 0.425 ' ND2' ' OH ' ' A' ' 24' ' ' TYR . 9.9 m120 -64.25 -38.14 89.99 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 123.541 0.736 . . . . 40.57 112.799 177.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.35 90.69 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.212 -1.033 . . . . 30.21 108.212 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -64.52 -38.95 92.79 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.553 -1.342 . . . . 33.9 114.372 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -56.8 -49.04 76.55 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 120.827 -1.171 . . . . 43.9 112.648 174.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -53.61 -32.0 49.41 Favored 'General case' 0 C--O 1.19 -2.05 0 N-CA-C 114.023 1.119 . . . . 59.88 114.023 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -87.87 4.78 43.36 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 114.722 1.379 . . . . 68.74 114.722 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.61 15.91 79.18 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 116.256 1.262 . . . . 41.72 116.256 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.12 72.67 6.32 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-O 121.209 0.528 . . . . 46.96 110.524 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.11 -31.58 72.53 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 114.735 1.383 . . . . 40.37 114.735 -173.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . 0.679 ' OD1' ' O ' ' A' ' 204' ' ' HOH . 0.0 OUTLIER -70.35 -42.12 72.28 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 120.701 1.591 . . . . 60.65 109.786 179.461 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -61.2 -45.07 96.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 119.363 -0.935 . . . . 60.26 108.723 176.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -48.47 75.86 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 121.761 0.791 . . . . 30.85 109.058 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.7 mt -54.83 -46.35 75.04 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 N-CA-C 113.941 1.089 . . . . 36.83 113.941 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.49 83.98 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 119.311 -0.376 . . . . 75.19 110.684 -178.113 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -81.09 -33.84 33.05 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 113.481 0.919 . . . . 51.25 113.481 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' OH ' ' ND2' ' A' ' 9' ' ' ASN . 16.5 m-85 -64.65 -41.2 96.29 Favored 'General case' 0 CA--C 1.582 2.207 0 C-N-CA 119.602 -0.839 . . . . 33.24 110.161 172.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -61.09 -33.57 73.56 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.331 -0.856 . . . . 59.06 111.785 175.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -74.26 -40.86 62.08 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 107.207 -1.405 . . . . 40.14 107.207 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.79 77.34 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 119.711 1.142 . . . . 35.49 111.884 173.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.99 -37.06 69.91 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.979 1.103 . . . . 47.12 113.979 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . . . -55.6 -37.7 68.45 Favored 'General case' 0 C--O 1.196 -1.726 0 N-CA-C 108.447 -0.946 . . . . 50.84 108.447 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.5 -38.15 22.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.874 2.175 . . . . 52.81 116.874 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -131.87 87.73 44.02 Favored Pre-proline 0 C--O 1.256 1.429 0 O-C-N 121.617 -0.677 . . . . 59.33 110.519 173.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -66.24 -6.59 15.14 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.584 1.308 . . . . 57.32 114.92 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . -105.75 22.67 15.15 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 113.75 1.019 . . . . 51.74 113.75 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -84.07 104.75 14.39 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 106.789 -1.56 . . . . 46.61 106.789 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.56 -36.08 80.27 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.998 -1.482 . . . . 44.55 106.998 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 125.415 1.697 . . . . 38.21 109.556 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.19 -43.33 57.65 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 122.167 -0.333 . . . . 39.64 111.258 -177.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -56.38 -47.7 78.38 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.528 1.307 . . . . 42.99 114.528 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -56.73 -46.65 81.2 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 124.32 1.048 . . . . 46.75 112.274 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -75.01 -28.27 60.44 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.692 -1.225 . . . . 46.02 107.692 -176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -47.61 85.15 Favored 'General case' 0 C--O 1.261 1.662 0 O-C-N 121.314 -0.867 . . . . 48.91 108.757 171.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.44 -41.64 95.39 Favored Glycine 0 CA--C 1.553 2.45 0 N-CA-C 109.395 -1.482 . . . . 32.07 109.395 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.67 -41.26 97.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 120.536 -1.567 . . . . 37.85 110.798 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -45.03 92.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 125.075 1.35 . . . . 34.89 112.421 -179.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -67.83 -39.42 83.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 118.178 -1.409 . . . . 37.66 110.409 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -55.35 -45.1 76.48 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-O 122.237 1.018 . . . . 37.61 111.823 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -63.35 -27.81 69.57 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 114.607 1.336 . . . . 47.88 114.607 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -81.36 -3.75 53.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.503 -0.748 . . . . 47.03 109.473 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.89 12.08 81.76 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 119.599 -1.286 . . . . 36.84 113.23 -176.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -94.44 79.59 3.88 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 117.898 -1.521 . . . . 54.57 112.679 174.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -69.88 -26.03 63.99 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.698 -0.683 . . . . 41.29 111.664 -168.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -69.37 -32.61 71.78 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.155 -1.018 . . . . 30.1 111.795 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.94 -41.33 51.97 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.68 -1.263 . . . . 79.98 109.81 175.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.6 -43.14 65.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 120.085 -0.646 . . . . 33.7 111.816 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 mt -56.76 -51.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 O-C-N 120.739 -1.226 . . . . 38.1 112.118 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -49.91 -49.85 48.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.65 1.352 . . . . 45.94 114.65 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.88 -35.71 28.97 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 113.243 0.831 . . . . 41.63 113.243 -175.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -59.41 -37.46 78.08 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 118.485 -1.286 . . . . 32.09 109.942 170.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -34.81 73.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 117.169 -1.812 . . . . 69.82 112.368 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -64.87 -40.76 95.64 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 109.428 -0.582 . . . . 49.14 109.428 176.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.92 85.87 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 113.561 0.949 . . . . 39.97 113.561 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.64 -31.88 72.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.756 1.021 . . . . 56.51 113.756 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.19 -37.27 85.2 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 115.324 -0.853 . . . . 55.64 112.713 171.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.87 -31.18 66.19 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 120.469 1.486 . . . . 52.69 111.737 169.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -155.46 92.77 2.7 Favored Pre-proline 0 C--N 1.314 -0.976 0 O-C-N 119.585 -1.947 . . . . 57.23 111.044 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -80.17 13.4 2.21 Favored 'Trans proline' 0 CA--C 1.561 1.826 0 N-CA-C 115.145 1.171 . . . . 54.11 115.145 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -77.34 -30.4 53.91 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 120.103 -1.623 . . . . 63.67 111.892 -165.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.445 -0.694 1 CA-C-O 133.441 6.353 . . . . 64.86 114.057 -165.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.679 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.536 0 N-CA-C 117.736 2.495 . . . . 49.26 117.736 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -56.11 -41.21 74.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 120.412 -1.43 . . . . 81.42 113.643 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.56 -41.44 72.44 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 123.064 0.546 . . . . 41.41 112.245 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -59.37 -42.15 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 118.841 -1.143 . . . . 55.36 111.651 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.62 -46.74 84.33 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 119.004 -0.522 . . . . 38.49 109.906 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.78 -38.64 88.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 116.979 -1.486 . . . . 46.18 113.11 175.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -46.18 83.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 125.03 1.456 . . . . 45.39 111.152 169.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.29 -45.56 57.95 Favored Glycine 0 N--CA 1.474 1.221 0 N-CA-C 115.063 0.785 . . . . 32.19 115.063 173.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.25 -38.14 89.99 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 123.541 0.736 . . . . 40.57 112.799 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.35 90.69 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.212 -1.033 . . . . 30.21 108.212 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -64.52 -38.95 92.79 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.553 -1.342 . . . . 33.9 114.372 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -56.8 -49.04 76.55 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 120.827 -1.171 . . . . 43.9 112.648 174.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -53.61 -32.0 49.41 Favored 'General case' 0 C--O 1.19 -2.05 0 N-CA-C 114.023 1.119 . . . . 59.88 114.023 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -87.87 4.78 43.36 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 114.722 1.379 . . . . 68.74 114.722 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.61 15.91 79.18 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 116.256 1.262 . . . . 41.72 116.256 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.12 72.67 6.32 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-O 121.209 0.528 . . . . 46.96 110.524 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.11 -31.58 72.53 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 114.735 1.383 . . . . 40.37 114.735 -173.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . 0.679 ' OD1' ' O ' ' A' ' 204' ' ' HOH . 0.0 OUTLIER -70.35 -42.12 72.28 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 120.701 1.591 . . . . 60.65 109.786 179.461 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -61.2 -45.07 96.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 119.363 -0.935 . . . . 60.26 108.723 176.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -48.47 75.86 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 121.761 0.791 . . . . 30.85 109.058 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.7 mt -54.83 -46.35 75.04 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 N-CA-C 113.941 1.089 . . . . 36.83 113.941 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.49 83.98 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 119.311 -0.376 . . . . 75.19 110.684 -178.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -81.09 -33.84 33.05 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 113.481 0.919 . . . . 51.25 113.481 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 40' ' ' ASN . 16.5 m-85 -64.65 -41.2 96.29 Favored 'General case' 0 CA--C 1.582 2.207 0 C-N-CA 119.602 -0.839 . . . . 33.24 110.161 172.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -61.09 -33.57 73.56 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.331 -0.856 . . . . 59.06 111.785 175.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -74.26 -40.86 62.08 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 107.207 -1.405 . . . . 40.14 107.207 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.79 77.34 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 119.711 1.142 . . . . 35.49 111.884 173.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.99 -37.06 69.91 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.979 1.103 . . . . 47.12 113.979 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . . . -55.6 -37.7 68.45 Favored 'General case' 0 C--O 1.196 -1.726 0 N-CA-C 108.447 -0.946 . . . . 50.84 108.447 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.5 -38.15 22.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.874 2.175 . . . . 52.81 116.874 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -131.87 87.73 44.02 Favored Pre-proline 0 C--O 1.256 1.429 0 O-C-N 121.617 -0.677 . . . . 59.33 110.519 173.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -66.24 -6.59 15.14 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.584 1.308 . . . . 57.32 114.92 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . -105.75 22.67 15.15 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 113.75 1.019 . . . . 51.74 113.75 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -84.07 104.75 14.39 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 106.789 -1.56 . . . . 46.61 106.789 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.56 -36.08 80.27 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.998 -1.482 . . . . 44.55 106.998 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 125.415 1.697 . . . . 38.21 109.556 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.19 -43.33 57.65 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 122.167 -0.333 . . . . 39.64 111.258 -177.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -56.38 -47.7 78.38 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.528 1.307 . . . . 42.99 114.528 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -56.73 -46.65 81.2 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 124.32 1.048 . . . . 46.75 112.274 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 2.4 m120 -75.01 -28.27 60.44 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.692 -1.225 . . . . 46.02 107.692 -176.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -61.3 -47.61 85.15 Favored 'General case' 0 C--O 1.261 1.662 0 O-C-N 121.314 -0.867 . . . . 48.91 108.757 171.859 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.44 -41.64 95.39 Favored Glycine 0 CA--C 1.553 2.45 0 N-CA-C 109.395 -1.482 . . . . 32.07 109.395 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.67 -41.26 97.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 120.536 -1.567 . . . . 37.85 110.798 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -45.03 92.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 125.075 1.35 . . . . 34.89 112.421 -179.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -67.83 -39.42 83.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 118.178 -1.409 . . . . 37.66 110.409 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -55.35 -45.1 76.48 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-O 122.237 1.018 . . . . 37.61 111.823 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -63.35 -27.81 69.57 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 114.607 1.336 . . . . 47.88 114.607 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -81.36 -3.75 53.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.503 -0.748 . . . . 47.03 109.473 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.89 12.08 81.76 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 119.599 -1.286 . . . . 36.84 113.23 -176.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.577 ' HB2' ' O ' ' A' ' 220' ' ' HOH . 39.4 t0 -94.44 79.59 3.88 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 117.898 -1.521 . . . . 54.57 112.679 174.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -69.88 -26.03 63.99 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.698 -0.683 . . . . 41.29 111.664 -168.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -69.37 -32.61 71.78 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.155 -1.018 . . . . 30.1 111.795 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.94 -41.33 51.97 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.68 -1.263 . . . . 79.98 109.81 175.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.6 -43.14 65.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 120.085 -0.646 . . . . 33.7 111.816 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 mt -56.76 -51.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 O-C-N 120.739 -1.226 . . . . 38.1 112.118 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -49.91 -49.85 48.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.65 1.352 . . . . 45.94 114.65 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . 0.591 ' CD2' HD13 ' A' ' 41' ' ' LEU . 23.5 m-85 -81.88 -35.71 28.97 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 113.243 0.831 . . . . 41.63 113.243 -175.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -59.41 -37.46 78.08 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 118.485 -1.286 . . . . 32.09 109.942 170.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -34.81 73.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 117.169 -1.812 . . . . 69.82 112.368 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -64.87 -40.76 95.64 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 109.428 -0.582 . . . . 49.14 109.428 176.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.92 85.87 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 113.561 0.949 . . . . 39.97 113.561 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.64 -31.88 72.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.756 1.021 . . . . 56.51 113.756 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.19 -37.27 85.2 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 115.324 -0.853 . . . . 55.64 112.713 171.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.87 -31.18 66.19 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 120.469 1.486 . . . . 52.69 111.737 169.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -155.46 92.77 2.7 Favored Pre-proline 0 C--N 1.314 -0.976 0 O-C-N 119.585 -1.947 . . . . 57.23 111.044 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -80.17 13.4 2.21 Favored 'Trans proline' 0 CA--C 1.561 1.826 0 N-CA-C 115.145 1.171 . . . . 54.11 115.145 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -77.34 -30.4 53.91 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 120.103 -1.623 . . . . 63.67 111.892 -165.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.445 -0.694 1 CA-C-O 133.441 6.353 . . . . 64.86 114.057 -165.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.679 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . 0.577 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.591 2.536 0 N-CA-C 117.736 2.495 . . . . 49.26 117.736 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -56.11 -41.21 74.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 120.412 -1.43 . . . . 81.42 113.643 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.56 -41.44 72.44 Favored 'General case' 0 C--O 1.249 1.051 0 C-N-CA 123.064 0.546 . . . . 41.41 112.245 -179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -59.37 -42.15 90.94 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 118.841 -1.143 . . . . 55.36 111.651 172.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -63.62 -46.74 84.33 Favored 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 119.004 -0.522 . . . . 38.49 109.906 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -61.78 -38.64 88.8 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 116.979 -1.486 . . . . 46.18 113.11 175.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -46.18 83.93 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 125.03 1.456 . . . . 45.39 111.152 169.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.29 -45.56 57.95 Favored Glycine 0 N--CA 1.474 1.221 0 N-CA-C 115.063 0.785 . . . . 32.19 115.063 173.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.25 -38.14 89.99 Favored 'General case' 0 N--CA 1.435 -1.176 0 C-N-CA 123.541 0.736 . . . . 40.57 112.799 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.35 90.69 Favored 'General case' 0 C--O 1.208 -1.107 0 N-CA-C 108.212 -1.033 . . . . 30.21 108.212 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -64.52 -38.95 92.79 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 120.553 -1.342 . . . . 33.9 114.372 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -56.8 -49.04 76.55 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 120.827 -1.171 . . . . 43.9 112.648 174.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -53.61 -32.0 49.41 Favored 'General case' 0 C--O 1.19 -2.05 0 N-CA-C 114.023 1.119 . . . . 59.88 114.023 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -87.87 4.78 43.36 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 114.722 1.379 . . . . 68.74 114.722 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.61 15.91 79.18 Favored Glycine 0 CA--C 1.492 -1.406 0 N-CA-C 116.256 1.262 . . . . 41.72 116.256 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -91.12 72.67 6.32 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-O 121.209 0.528 . . . . 46.96 110.524 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -66.11 -31.58 72.53 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 114.735 1.383 . . . . 40.37 114.735 -173.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.679 ' OD1' ' O ' ' A' ' 204' ' ' HOH . 0.0 OUTLIER -70.35 -42.12 72.28 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 120.701 1.591 . . . . 60.65 109.786 179.461 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -61.2 -45.07 96.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 119.363 -0.935 . . . . 60.26 108.723 176.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.01 -48.47 75.86 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-O 121.761 0.791 . . . . 30.85 109.058 -178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.7 mt -54.83 -46.35 75.04 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.403 0 N-CA-C 113.941 1.089 . . . . 36.83 113.941 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -37.49 83.98 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 119.311 -0.376 . . . . 75.19 110.684 -178.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -81.09 -33.84 33.05 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 113.481 0.919 . . . . 51.25 113.481 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 40' ' ' ASN . 16.5 m-85 -64.65 -41.2 96.29 Favored 'General case' 0 CA--C 1.582 2.207 0 C-N-CA 119.602 -0.839 . . . . 33.24 110.161 172.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -61.09 -33.57 73.56 Favored 'General case' 0 C--O 1.259 1.578 0 O-C-N 121.331 -0.856 . . . . 59.06 111.785 175.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . . . -74.26 -40.86 62.08 Favored 'General case' 0 CA--C 1.507 -0.701 0 N-CA-C 107.207 -1.405 . . . . 40.14 107.207 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.74 -36.79 77.34 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-N 119.711 1.142 . . . . 35.49 111.884 173.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.99 -37.06 69.91 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.979 1.103 . . . . 47.12 113.979 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . . . -55.6 -37.7 68.45 Favored 'General case' 0 C--O 1.196 -1.726 0 N-CA-C 108.447 -0.946 . . . . 50.84 108.447 173.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.0 mt -83.5 -38.15 22.16 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 116.874 2.175 . . . . 52.81 116.874 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -131.87 87.73 44.02 Favored Pre-proline 0 C--O 1.256 1.429 0 O-C-N 121.617 -0.677 . . . . 59.33 110.519 173.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -66.24 -6.59 15.14 Favored 'Trans proline' 0 C--N 1.354 0.828 0 O-C-N 123.584 1.308 . . . . 57.32 114.92 -178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . . . -105.75 22.67 15.15 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 113.75 1.019 . . . . 51.74 113.75 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 t -84.07 104.75 14.39 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 106.789 -1.56 . . . . 46.61 106.789 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.56 -36.08 80.27 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 106.998 -1.482 . . . . 44.55 106.998 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -60.41 -42.68 96.49 Favored 'General case' 0 C--O 1.202 -1.439 0 O-C-N 125.415 1.697 . . . . 38.21 109.556 -178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.19 -43.33 57.65 Favored 'General case' 0 C--O 1.257 1.481 0 O-C-N 122.167 -0.333 . . . . 39.64 111.258 -177.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -56.38 -47.7 78.38 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.528 1.307 . . . . 42.99 114.528 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -56.73 -46.65 81.2 Favored 'General case' 0 C--N 1.313 -1.013 0 C-N-CA 124.32 1.048 . . . . 46.75 112.274 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 59.4 m-20 -75.01 -28.27 60.44 Favored 'General case' 0 CA--C 1.483 -1.598 0 N-CA-C 107.692 -1.225 . . . . 46.02 107.692 -176.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -61.3 -47.61 85.15 Favored 'General case' 0 C--O 1.261 1.662 0 O-C-N 121.314 -0.867 . . . . 48.91 108.757 171.859 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.44 -41.64 95.39 Favored Glycine 0 CA--C 1.553 2.45 0 N-CA-C 109.395 -1.482 . . . . 32.07 109.395 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -61.67 -41.26 97.3 Favored 'General case' 0 CA--C 1.497 -1.073 0 O-C-N 120.536 -1.567 . . . . 37.85 110.798 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.54 -45.03 92.4 Favored 'General case' 0 C--O 1.266 1.957 0 C-N-CA 125.075 1.35 . . . . 34.89 112.421 -179.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -67.83 -39.42 83.88 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 118.178 -1.409 . . . . 37.66 110.409 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -55.35 -45.1 76.48 Favored 'General case' 0 C--O 1.252 1.206 0 CA-C-O 122.237 1.018 . . . . 37.61 111.823 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -63.35 -27.81 69.57 Favored 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 114.607 1.336 . . . . 47.88 114.607 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -81.36 -3.75 53.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.503 -0.748 . . . . 47.03 109.473 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.89 12.08 81.76 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 119.599 -1.286 . . . . 36.84 113.23 -176.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.577 ' HB2' ' O ' ' A' ' 220' ' ' HOH . 39.4 t0 -94.44 79.59 3.88 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 117.898 -1.521 . . . . 54.57 112.679 174.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -69.88 -26.03 63.99 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.698 -0.683 . . . . 41.29 111.664 -168.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . . . -69.37 -32.61 71.78 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.155 -1.018 . . . . 30.1 111.795 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.94 -41.33 51.97 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.68 -1.263 . . . . 79.98 109.81 175.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.6 -43.14 65.14 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 120.085 -0.646 . . . . 33.7 111.816 172.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.3 mt -56.76 -51.61 64.9 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.735 0 O-C-N 120.739 -1.226 . . . . 38.1 112.118 176.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -49.91 -49.85 48.32 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 114.65 1.352 . . . . 45.94 114.65 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.591 ' CD2' HD13 ' A' ' 41' ' ' LEU . 23.5 m-85 -81.88 -35.71 28.97 Favored 'General case' 0 C--O 1.242 0.68 0 N-CA-C 113.243 0.831 . . . . 41.63 113.243 -175.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.6 m-30 -59.41 -37.46 78.08 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 118.485 -1.286 . . . . 32.09 109.942 170.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -34.81 73.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 117.169 -1.812 . . . . 69.82 112.368 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -64.87 -40.76 95.64 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 109.428 -0.582 . . . . 49.14 109.428 176.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.92 85.87 Favored 'General case' 0 C--O 1.212 -0.887 0 N-CA-C 113.561 0.949 . . . . 39.97 113.561 176.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.1 mt -66.64 -31.88 72.85 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.756 1.021 . . . . 56.51 113.756 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.19 -37.27 85.2 Favored 'General case' 0 C--O 1.198 -1.619 0 CA-C-N 115.324 -0.853 . . . . 55.64 112.713 171.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.0 mt -71.87 -31.18 66.19 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 120.469 1.486 . . . . 52.69 111.737 169.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -155.46 92.77 2.7 Favored Pre-proline 0 C--N 1.314 -0.976 0 O-C-N 119.585 -1.947 . . . . 57.23 111.044 -175.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -80.17 13.4 2.21 Favored 'Trans proline' 0 CA--C 1.561 1.826 0 N-CA-C 115.145 1.171 . . . . 54.11 115.145 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -77.34 -30.4 53.91 Favored 'General case' 0 C--O 1.243 0.726 0 O-C-N 120.103 -1.623 . . . . 63.67 111.892 -165.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 N--CA 1.445 -0.694 1 CA-C-O 133.441 6.353 . . . . 64.86 114.057 -165.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.679 ' O ' ' OD1' ' A' ' 18' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . 0.577 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_