data_3b7h_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 3b7h _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' ' ' MET . . . . . 0.566 ' N ' ' O ' ' A' ' 128' ' ' HOH . 34.0 mmt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 112.114 0.413 . . . . 31.72 112.114 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -129.43 135.8 49.14 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.263 0.977 . . . . 34.98 110.841 174.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 p -74.41 165.93 24.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.124 -0.489 . . . . 25.45 110.015 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -63.4 -43.3 97.92 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.557 -0.535 . . . . 24.64 109.557 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.56 -40.77 48.08 Favored Glycine 0 N--CA 1.467 0.728 0 N-CA-C 115.682 1.033 . . . . 21.88 115.682 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -68.18 -45.68 72.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.761 0.652 . . . . 26.67 112.761 174.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.04 -47.04 86.66 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.8 -1.16 . . . . 23.23 110.387 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.59 -46.65 82.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.002 -0.544 . . . . 21.24 112.285 -175.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.2 p -68.7 -35.76 77.6 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 120.24 -0.584 . . . . 22.87 110.71 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -66.06 -39.21 89.92 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.153 -0.619 . . . . 37.06 111.153 176.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -66.47 -44.98 81.22 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.953 0.882 . . . . 22.29 110.187 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.21 -45.66 83.61 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.348 -1.296 . . . . 27.84 110.994 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 17.3 tpp -62.53 -38.69 90.98 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.949 -0.47 . . . . 27.01 111.75 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.17 -46.47 88.3 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.483 -0.761 . . . . 45.52 112.823 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.05 -42.94 88.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.014 1.116 . . . . 27.9 114.014 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.3 mt -56.63 -47.53 82.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 121.427 0.632 . . . . 30.58 110.377 174.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -64.49 -41.65 96.32 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.312 -0.858 . . . . 35.48 112.165 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . 0.954 ' OE1' ' O ' ' A' ' 113' ' ' HOH . 89.7 mt-30 -59.86 -28.54 67.62 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 112.809 0.67 . . . . 48.11 112.809 173.175 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.12 9.62 30.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.795 0.725 . . . . 43.43 112.951 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 55.99 36.77 27.95 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.96 0.409 . . . . 41.1 111.952 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 mt -106.43 175.81 5.38 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 107.762 -1.199 . . . . 33.86 107.762 173.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.54 158.23 30.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.825 -1.546 . . . . 30.56 106.825 169.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.28 -36.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.598 -0.441 . . . . 30.85 111.098 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -67.23 -41.14 86.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.094 0.473 . . . . 33.78 112.015 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.4 -43.13 98.44 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 121.209 0.528 . . . . 45.64 111.864 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.0 t -63.85 -45.52 96.84 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 N-CA-C 108.112 -1.07 . . . . 35.7 108.112 178.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' CA ' ' CD2' ' A' ' 32' ' ' LEU . . . -56.13 -45.01 79.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.527 0.679 . . . . 39.17 111.295 176.726 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.5 p -64.45 -49.41 71.56 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 119.444 -0.903 . . . . 43.71 109.963 -179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.5 -38.83 92.38 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.644 0.609 . . . . 42.35 112.644 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -8.46 59.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.974 0.416 . . . . 44.25 110.849 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.33 26.05 74.92 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 116.375 1.31 . . . . 45.96 116.375 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD2' ' CA ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -95.77 157.0 16.09 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 116.323 -2.151 . . . . 51.15 110.476 169.702 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -96.59 164.51 12.57 Favored 'General case' 0 C--O 1.251 1.146 0 N-CA-C 107.902 -1.148 . . . . 51.93 107.902 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -55.11 -37.94 67.52 Favored 'General case' 0 C--N 1.334 -0.068 0 O-C-N 125.571 1.794 . . . . 51.39 111.588 -172.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.1 p -56.71 -42.88 79.91 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.756 -0.656 . . . . 42.75 111.624 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.5 m -69.79 -42.94 73.11 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.856 0.36 . . . . 39.07 110.545 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.37 -53.01 49.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-N 115.467 -0.788 . . . . 39.52 110.275 174.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.27 -42.67 77.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.977 -0.452 . . . . 40.91 112.193 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.5 85.91 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.979 0.895 . . . . 40.69 112.19 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.6 ttp -41.5 -47.54 3.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.981 -1.009 . . . . 48.08 112.642 174.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -98.3 0.73 46.15 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.84 1.052 . . . . 41.36 113.84 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -78.83 116.6 19.27 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.048 -1.834 . . . . 51.59 106.048 166.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 119' ' ' HOH . . . -57.11 -35.75 71.29 Favored Glycine 0 N--CA 1.436 -1.303 0 O-C-N 124.035 0.834 . . . . 41.19 113.997 179.371 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -88.97 3.23 52.27 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.11 1.152 . . . . 40.56 114.11 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -77.83 145.21 36.46 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.893 1.071 . . . . 40.55 113.893 166.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.65 -14.41 59.32 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 125.083 1.353 . . . . 42.88 112.519 172.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -78.71 160.4 72.1 Favored Pre-proline 0 N--CA 1.484 1.23 0 CA-C-N 115.187 -0.915 . . . . 37.94 111.049 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 137' ' ' HOH . 22.3 Cg_exo -72.62 149.93 94.47 Favored 'Cis proline' 0 CA--C 1.568 2.216 0 N-CA-C 117.199 1.961 . . . . 35.67 117.199 3.124 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -85.08 169.52 13.85 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.684 -0.858 . . . . 30.27 108.684 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.0 mt -58.5 -40.34 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.836 -0.62 . . . . 28.65 109.613 172.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.4 m -57.39 -50.11 74.04 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.194 0.521 . . . . 26.34 111.892 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.2 m -61.22 -46.3 91.0 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.001 -0.545 . . . . 29.11 110.845 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.41 -45.33 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.554 0.693 . . . . 26.71 110.882 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -58.65 -45.19 89.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 39.16 111.697 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -63.45 -45.51 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.407 -0.36 . . . . 36.19 111.714 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.14 -40.9 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.043 0.449 . . . . 29.23 111.712 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.11 -39.3 81.86 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.216 -0.447 . . . . 28.28 110.197 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.66 -45.83 94.18 Favored Glycine 0 C--O 1.24 0.469 0 N-CA-C 110.793 -0.923 . . . . 32.34 110.793 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -64.87 -36.7 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.233 0.613 . . . . 35.25 111.183 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 mt -77.64 -14.14 59.71 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.899 1.074 . . . . 31.26 113.899 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 25.62 70.08 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 117.84 0.291 . . . . 28.56 113.779 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.44 158.87 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.54 -0.911 . . . . 28.9 108.54 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.5 p -83.83 152.5 24.57 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.179 0.924 . . . . 24.52 108.575 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.8 -39.6 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 124.52 1.138 . . . . 22.07 109.385 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.01 -50.43 61.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.985 0.365 . . . . 21.29 111.985 173.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -67.19 -38.17 84.9 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 113.485 0.92 . . . . 26.73 113.485 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -47.77 -41.56 23.66 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.452 0.47 . . . . 21.31 111.604 172.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.69 11.19 20.61 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 114.163 1.171 . . . . 21.89 114.163 -173.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -84.83 64.57 8.68 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 108.898 -0.779 . . . . 24.02 108.898 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -156.35 155.43 28.89 Favored Pre-proline 0 CA--C 1.501 -0.927 0 N-CA-C 108.316 -0.994 . . . . 22.93 108.316 172.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -70.88 142.19 42.41 Favored 'Trans proline' 0 C--O 1.209 -0.948 0 C-N-CA 122.456 2.104 . . . . 26.83 111.828 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.81 -6.0 51.85 Favored 'Cis proline' 0 CA--C 1.538 0.715 0 C-N-CA 130.715 1.548 . . . . 25.05 115.743 5.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -75.34 -19.38 59.65 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.782 1.03 . . . . 24.19 113.782 -166.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -101.07 16.95 23.68 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 113.6 0.963 . . . . 24.23 113.6 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -129.96 158.36 39.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 118.878 -0.582 . . . . 41.38 109.925 169.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.27 2.138 0 N-CA-C 113.551 0.945 . . . . 32.96 113.551 177.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . 0.954 ' O ' ' OE1' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . 0.566 ' O ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . 0.57 ' O ' ' O ' ' A' ' 48' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' ' 128' ' ' HOH . 34.0 mmt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 112.114 0.413 . . . . 31.719999999999999 112.114 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -129.43 135.8 49.14 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.263 0.977 . . . . 34.979999999999997 110.841 174.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 p -74.41 165.93 24.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.124 -0.489 . . . . 25.449999999999999 110.015 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -63.4 -43.3 97.92 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.557 -0.535 . . . . 24.640000000000001 109.557 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.56 -40.77 48.08 Favored Glycine 0 N--CA 1.467 0.728 0 N-CA-C 115.682 1.033 . . . . 21.879999999999999 115.682 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -68.18 -45.68 72.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.761 0.652 . . . . 26.670000000000002 112.761 174.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.04 -47.04 86.66 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.8 -1.16 . . . . 23.23 110.387 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.59 -46.65 82.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.002 -0.544 . . . . 21.239999999999998 112.285 -175.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.2 p -68.7 -35.76 77.6 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 120.24 -0.584 . . . . 22.870000000000001 110.71 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -66.06 -39.21 89.92 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.153 -0.619 . . . . 37.060000000000002 111.153 176.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -66.47 -44.98 81.22 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.953 0.882 . . . . 22.289999999999999 110.187 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.667 HD11 HG11 ' A' ' 56' ' ' VAL . 42.0 tp -57.21 -45.66 83.61 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.348 -1.296 . . . . 27.84 110.994 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . 0.413 ' HB2' ' HE3' ' A' ' 13' ' ' MET . 17.3 tpp -62.53 -38.69 90.98 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.949 -0.47 . . . . 27.010000000000002 111.75 177.218 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.17 -46.47 88.3 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.483 -0.761 . . . . 45.520000000000003 112.823 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.05 -42.94 88.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.014 1.116 . . . . 27.899999999999999 114.014 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 26' ' ' VAL . 41.3 mt -56.63 -47.53 82.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 121.427 0.632 . . . . 30.579999999999998 110.377 174.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -64.49 -41.65 96.32 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.312 -0.858 . . . . 35.479999999999997 112.165 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . 1.093 ' NE2' ' O ' ' A' ' 113' ' ' HOH . 27.4 mt-30 -59.86 -28.54 67.62 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 112.809 0.67 . . . . 48.109999999999999 112.809 173.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.12 9.62 30.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.795 0.725 . . . . 43.43 112.951 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 55.99 36.77 27.95 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.96 0.409 . . . . 41.100000000000001 111.952 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 mt -106.43 175.81 5.38 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 107.762 -1.199 . . . . 33.859999999999999 107.762 173.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.54 158.23 30.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.825 -1.546 . . . . 30.559999999999999 106.825 169.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . 0.612 HD11 ' HE3' ' A' ' 40' ' ' MET . 8.1 tp -58.28 -36.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.598 -0.441 . . . . 30.850000000000001 111.098 178.14 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 28' ' ' THR . 24.2 t-20 -67.23 -41.14 86.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.094 0.473 . . . . 33.780000000000001 112.015 179.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.4 -43.13 98.44 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 121.209 0.528 . . . . 45.640000000000001 111.864 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HG12 ' A' ' 16' ' ' ILE . 49.0 t -63.85 -45.52 96.84 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 N-CA-C 108.112 -1.07 . . . . 35.700000000000003 108.112 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . 0.684 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -56.13 -45.01 79.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.527 0.679 . . . . 39.170000000000002 111.295 176.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 24' ' ' ASN . 63.5 p -64.45 -49.41 71.56 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 119.444 -0.903 . . . . 43.710000000000001 109.963 -179.707 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.5 -38.83 92.38 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.644 0.609 . . . . 42.350000000000001 112.644 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -8.46 59.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.974 0.416 . . . . 44.25 110.849 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.33 26.05 74.92 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 116.375 1.31 . . . . 45.960000000000001 116.375 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.684 ' CD2' ' HA ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -95.77 157.0 16.09 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 116.323 -2.151 . . . . 51.149999999999999 110.476 169.702 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -96.59 164.51 12.57 Favored 'General case' 0 C--O 1.251 1.146 0 N-CA-C 107.902 -1.148 . . . . 51.93 107.902 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -55.11 -37.94 67.52 Favored 'General case' 0 C--N 1.334 -0.068 0 O-C-N 125.571 1.794 . . . . 51.390000000000001 111.588 -172.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.1 p -56.71 -42.88 79.91 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.756 -0.656 . . . . 42.75 111.624 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.5 m -69.79 -42.94 73.11 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.856 0.36 . . . . 39.07 110.545 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . 0.482 HG23 HD23 ' A' ' 32' ' ' LEU . 24.5 t -57.37 -53.01 49.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-N 115.467 -0.788 . . . . 39.520000000000003 110.275 174.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.27 -42.67 77.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.977 -0.452 . . . . 40.909999999999997 112.193 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.5 85.91 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.979 0.895 . . . . 40.689999999999998 112.19 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' MET . . . . . 0.612 ' HE3' HD11 ' A' ' 23' ' ' ILE . 26.6 ttp -41.5 -47.54 3.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.981 -1.009 . . . . 48.079999999999998 112.642 174.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -98.3 0.73 46.15 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.84 1.052 . . . . 41.359999999999999 113.84 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -78.83 116.6 19.27 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.048 -1.834 . . . . 51.590000000000003 106.048 166.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.11 -35.75 71.29 Favored Glycine 0 N--CA 1.436 -1.303 0 O-C-N 124.035 0.834 . . . . 41.189999999999998 113.997 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -88.97 3.23 52.27 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.11 1.152 . . . . 40.560000000000002 114.11 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -77.83 145.21 36.46 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.893 1.071 . . . . 40.549999999999997 113.893 166.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.65 -14.41 59.32 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 125.083 1.353 . . . . 42.880000000000003 112.519 172.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -78.71 160.4 72.1 Favored Pre-proline 0 N--CA 1.484 1.23 0 CA-C-N 115.187 -0.915 . . . . 37.939999999999998 111.049 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 137' ' ' HOH . 22.3 Cg_exo -72.62 149.93 94.47 Favored 'Cis proline' 0 CA--C 1.568 2.216 0 N-CA-C 117.199 1.961 . . . . 35.670000000000002 117.199 3.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -85.08 169.52 13.85 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.684 -0.858 . . . . 30.27 108.684 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.0 mt -58.5 -40.34 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.836 -0.62 . . . . 28.649999999999999 109.613 172.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.4 m -57.39 -50.11 74.04 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.194 0.521 . . . . 26.34 111.892 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.2 m -61.22 -46.3 91.0 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.001 -0.545 . . . . 29.109999999999999 110.845 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.41 -45.33 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.554 0.693 . . . . 26.710000000000001 110.882 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -58.65 -45.19 89.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 39.159999999999997 111.697 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -63.45 -45.51 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.407 -0.36 . . . . 36.189999999999998 111.714 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 12' ' ' LEU . 55.0 t -62.14 -40.9 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.043 0.449 . . . . 29.23 111.712 176.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.11 -39.3 81.86 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.216 -0.447 . . . . 28.280000000000001 110.197 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.66 -45.83 94.18 Favored Glycine 0 C--O 1.24 0.469 0 N-CA-C 110.793 -0.923 . . . . 32.340000000000003 110.793 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -64.87 -36.7 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.233 0.613 . . . . 35.25 111.183 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 mt -77.64 -14.14 59.71 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.899 1.074 . . . . 31.260000000000002 113.899 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 25.62 70.08 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 117.84 0.291 . . . . 28.559999999999999 113.779 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.44 158.87 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.54 -0.911 . . . . 28.899999999999999 108.54 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.5 p -83.83 152.5 24.57 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.179 0.924 . . . . 24.52 108.575 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.8 -39.6 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 124.52 1.138 . . . . 22.07 109.385 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.01 -50.43 61.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.985 0.365 . . . . 21.289999999999999 111.985 173.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -67.19 -38.17 84.9 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 113.485 0.92 . . . . 26.73 113.485 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -47.77 -41.56 23.66 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.452 0.47 . . . . 21.309999999999999 111.604 172.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.69 11.19 20.61 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 114.163 1.171 . . . . 21.890000000000001 114.163 -173.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -84.83 64.57 8.68 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 108.898 -0.779 . . . . 24.02 108.898 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -156.35 155.43 28.89 Favored Pre-proline 0 CA--C 1.501 -0.927 0 N-CA-C 108.316 -0.994 . . . . 22.93 108.316 172.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -70.88 142.19 42.41 Favored 'Trans proline' 0 C--O 1.209 -0.948 0 C-N-CA 122.456 2.104 . . . . 26.829999999999998 111.828 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.81 -6.0 51.85 Favored 'Cis proline' 0 CA--C 1.538 0.715 0 C-N-CA 130.715 1.548 . . . . 25.050000000000001 115.743 5.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -75.34 -19.38 59.65 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.782 1.03 . . . . 24.190000000000001 113.782 -166.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -101.07 16.95 23.68 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 113.6 0.963 . . . . 24.23 113.6 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . 0.807 ' HG3' ' O ' ' A' ' 93' ' ' HOH . 65.8 mm-40 -129.96 158.36 39.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 118.878 -0.582 . . . . 41.380000000000003 109.925 169.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.27 2.138 0 N-CA-C 113.551 0.945 . . . . 32.960000000000001 113.551 177.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . 0.807 ' O ' ' HG3' ' A' ' 75' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . 1.093 ' O ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . 0.534 ' O ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . 0.57 ' O ' ' O ' ' A' ' 48' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' ' 128' ' ' HOH . 34.0 mmt . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 112.114 0.413 . . . . 31.719999999999999 112.114 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -129.43 135.8 49.14 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 124.263 0.977 . . . . 34.979999999999997 110.841 174.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.6 p -74.41 165.93 24.36 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.124 -0.489 . . . . 25.449999999999999 110.015 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -63.4 -43.3 97.92 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 109.557 -0.535 . . . . 24.640000000000001 109.557 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -51.56 -40.77 48.08 Favored Glycine 0 N--CA 1.467 0.728 0 N-CA-C 115.682 1.033 . . . . 21.879999999999999 115.682 171.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -68.18 -45.68 72.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.761 0.652 . . . . 26.670000000000002 112.761 174.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -59.04 -47.04 86.66 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 118.8 -1.16 . . . . 23.23 110.387 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.59 -46.65 82.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.002 -0.544 . . . . 21.239999999999998 112.285 -175.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.2 p -68.7 -35.76 77.6 Favored 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 120.24 -0.584 . . . . 22.870000000000001 110.71 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -66.06 -39.21 89.92 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 120.153 -0.619 . . . . 37.060000000000002 111.153 176.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -66.47 -44.98 81.22 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.953 0.882 . . . . 22.289999999999999 110.187 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.667 HD11 HG11 ' A' ' 56' ' ' VAL . 42.0 tp -57.21 -45.66 83.61 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-N 114.348 -1.296 . . . . 27.84 110.994 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . 0.413 ' HB2' ' HE3' ' A' ' 13' ' ' MET . 17.3 tpp -62.53 -38.69 90.98 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 121.949 -0.47 . . . . 27.010000000000002 111.75 177.218 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.17 -46.47 88.3 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.483 -0.761 . . . . 45.520000000000003 112.823 173.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.05 -42.94 88.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 114.014 1.116 . . . . 27.899999999999999 114.014 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 26' ' ' VAL . 41.3 mt -56.63 -47.53 82.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-O 121.427 0.632 . . . . 30.579999999999998 110.377 174.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.5 m -64.49 -41.65 96.32 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.312 -0.858 . . . . 35.479999999999997 112.165 -178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.954 ' OE1' ' O ' ' A' ' 113' ' ' HOH . 89.7 mt-30 -59.86 -28.54 67.62 Favored 'General case' 0 C--O 1.211 -0.971 0 N-CA-C 112.809 0.67 . . . . 48.109999999999999 112.809 173.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.12 9.62 30.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.795 0.725 . . . . 43.43 112.951 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 55.99 36.77 27.95 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.96 0.409 . . . . 41.100000000000001 111.952 -177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 mt -106.43 175.81 5.38 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 107.762 -1.199 . . . . 33.859999999999999 107.762 173.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.1 p -122.54 158.23 30.32 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.825 -1.546 . . . . 30.559999999999999 106.825 169.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.612 HD11 ' HE3' ' A' ' 40' ' ' MET . 8.1 tp -58.28 -36.07 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 120.598 -0.441 . . . . 30.850000000000001 111.098 178.14 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 28' ' ' THR . 24.2 t-20 -67.23 -41.14 86.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.094 0.473 . . . . 33.780000000000001 112.015 179.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.4 -43.13 98.44 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-O 121.209 0.528 . . . . 45.640000000000001 111.864 176.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HG12 ' A' ' 16' ' ' ILE . 49.0 t -63.85 -45.52 96.84 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.144 0 N-CA-C 108.112 -1.07 . . . . 35.700000000000003 108.112 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.684 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -56.13 -45.01 79.71 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.527 0.679 . . . . 39.170000000000002 111.295 176.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 24' ' ' ASN . 63.5 p -64.45 -49.41 71.56 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 119.444 -0.903 . . . . 43.710000000000001 109.963 -179.707 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.5 -38.83 92.38 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.644 0.609 . . . . 42.350000000000001 112.644 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.82 -8.46 59.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.974 0.416 . . . . 44.25 110.849 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 69.33 26.05 74.92 Favored Glycine 0 C--O 1.214 -1.116 0 N-CA-C 116.375 1.31 . . . . 45.960000000000001 116.375 -178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.684 ' CD2' ' HA ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -95.77 157.0 16.09 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 116.323 -2.151 . . . . 51.149999999999999 110.476 169.702 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.0 p30 -96.59 164.51 12.57 Favored 'General case' 0 C--O 1.251 1.146 0 N-CA-C 107.902 -1.148 . . . . 51.93 107.902 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -55.11 -37.94 67.52 Favored 'General case' 0 C--N 1.334 -0.068 0 O-C-N 125.571 1.794 . . . . 51.390000000000001 111.588 -172.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.1 p -56.71 -42.88 79.91 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 115.756 -0.656 . . . . 42.75 111.624 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 65.5 m -69.79 -42.94 73.11 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.856 0.36 . . . . 39.07 110.545 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.482 HG23 HD23 ' A' ' 32' ' ' LEU . 24.5 t -57.37 -53.01 49.54 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.683 0 CA-C-N 115.467 -0.788 . . . . 39.520000000000003 110.275 174.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -56.27 -42.67 77.82 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.977 -0.452 . . . . 40.909999999999997 112.193 179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.5 85.91 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.979 0.895 . . . . 40.689999999999998 112.19 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' MET . . . . . 0.612 ' HE3' HD11 ' A' ' 23' ' ' ILE . 26.6 ttp -41.5 -47.54 3.74 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 114.981 -1.009 . . . . 48.079999999999998 112.642 174.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -98.3 0.73 46.15 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 113.84 1.052 . . . . 41.359999999999999 113.84 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -78.83 116.6 19.27 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 106.048 -1.834 . . . . 51.590000000000003 106.048 166.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.11 -35.75 71.29 Favored Glycine 0 N--CA 1.436 -1.303 0 O-C-N 124.035 0.834 . . . . 41.189999999999998 113.997 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -88.97 3.23 52.27 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.11 1.152 . . . . 40.560000000000002 114.11 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.6 t -77.83 145.21 36.46 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.893 1.071 . . . . 40.549999999999997 113.893 166.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.65 -14.41 59.32 Favored 'General case' 0 C--O 1.277 2.546 0 C-N-CA 125.083 1.353 . . . . 42.880000000000003 112.519 172.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.5 mtm180 -78.71 160.4 72.1 Favored Pre-proline 0 N--CA 1.484 1.23 0 CA-C-N 115.187 -0.915 . . . . 37.939999999999998 111.049 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.57 ' O ' ' O ' ' A' ' 137' ' ' HOH . 22.3 Cg_exo -72.62 149.93 94.47 Favored 'Cis proline' 0 CA--C 1.568 2.216 0 N-CA-C 117.199 1.961 . . . . 35.670000000000002 117.199 3.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -85.08 169.52 13.85 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.684 -0.858 . . . . 30.27 108.684 171.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 29.0 mt -58.5 -40.34 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.836 -0.62 . . . . 28.649999999999999 109.613 172.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.4 m -57.39 -50.11 74.04 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.194 0.521 . . . . 26.34 111.892 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.2 m -61.22 -46.3 91.0 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.001 -0.545 . . . . 29.109999999999999 110.845 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.41 -45.33 89.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.554 0.693 . . . . 26.710000000000001 110.882 177.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -58.65 -45.19 89.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.149 -0.478 . . . . 39.159999999999997 111.697 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -63.45 -45.51 90.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.407 -0.36 . . . . 36.189999999999998 111.714 -178.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 12' ' ' LEU . 55.0 t -62.14 -40.9 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.043 0.449 . . . . 29.23 111.712 176.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 40.1 m -59.11 -39.3 81.86 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.216 -0.447 . . . . 28.280000000000001 110.197 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.66 -45.83 94.18 Favored Glycine 0 C--O 1.24 0.469 0 N-CA-C 110.793 -0.923 . . . . 32.340000000000003 110.793 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -64.87 -36.7 85.21 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 123.233 0.613 . . . . 35.25 111.183 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.9 mt -77.64 -14.14 59.71 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 113.899 1.074 . . . . 31.260000000000002 113.899 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.39 25.62 70.08 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 117.84 0.291 . . . . 28.559999999999999 113.779 -177.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.44 158.87 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.54 -0.911 . . . . 28.899999999999999 108.54 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.5 p -83.83 152.5 24.57 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 124.179 0.924 . . . . 24.52 108.575 174.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.8 t -60.8 -39.6 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 O-C-N 124.52 1.138 . . . . 22.07 109.385 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -52.01 -50.43 61.4 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.985 0.365 . . . . 21.289999999999999 111.985 173.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -67.19 -38.17 84.9 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 113.485 0.92 . . . . 26.73 113.485 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -47.77 -41.56 23.66 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 123.452 0.47 . . . . 21.309999999999999 111.604 172.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.69 11.19 20.61 Favored 'General case' 0 N--CA 1.441 -0.914 0 N-CA-C 114.163 1.171 . . . . 21.890000000000001 114.163 -173.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -84.83 64.57 8.68 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 108.898 -0.779 . . . . 24.02 108.898 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -156.35 155.43 28.89 Favored Pre-proline 0 CA--C 1.501 -0.927 0 N-CA-C 108.316 -0.994 . . . . 22.93 108.316 172.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -70.88 142.19 42.41 Favored 'Trans proline' 0 C--O 1.209 -0.948 0 C-N-CA 122.456 2.104 . . . . 26.829999999999998 111.828 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -83.81 -6.0 51.85 Favored 'Cis proline' 0 CA--C 1.538 0.715 0 C-N-CA 130.715 1.548 . . . . 25.050000000000001 115.743 5.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -75.34 -19.38 59.65 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.782 1.03 . . . . 24.190000000000001 113.782 -166.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -101.07 16.95 23.68 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 113.6 0.963 . . . . 24.23 113.6 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.807 ' HG3' ' O ' ' A' ' 93' ' ' HOH . 65.8 mm-40 -129.96 158.36 39.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 118.878 -0.582 . . . . 41.380000000000003 109.925 169.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.27 2.138 0 N-CA-C 113.551 0.945 . . . . 32.960000000000001 113.551 177.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . 0.807 ' O ' ' HG3' ' A' ' 75' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . 0.954 ' O ' ' OE1' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . 0.534 ' O ' ' N ' ' A' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . 0.57 ' O ' ' O ' ' A' ' 48' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_