data_6rcy_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6rcy _Structure_validation_residue.Date_analyzed 2020-05-08 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 ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 116.678 -1.629 . . . . 150.98 114.06 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -90.9 139.4 2.61 Favored 'Trans proline' 0 C--N 1.372 1.78 0 CA-C-N 122.82 2.043 . . . . 125.37 115.789 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.8 mtm -104.94 89.42 3.15 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.966 -1.494 . . . . 115.7 106.966 176.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -117.98 155.29 30.52 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 113.46 0.911 . . . . 120.02 113.46 -175.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.9 168.08 12.22 Favored Glycine 0 CA--C 1.506 -0.471 0 N-CA-C 118.711 2.244 . . . . 83.08 118.711 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.92 136.87 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.785 2.034 . . . . 77.42 105.922 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -77.13 114.54 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 106.077 -1.823 . . . . 90.14 106.077 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -109.42 5.82 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 122.896 0.478 . . . . 80.59 111.053 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.3 p -67.53 138.16 93.63 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.353 -0.832 . . . . 85.61 108.847 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -59.17 -35.44 97.68 Favored 'Trans proline' 0 C--N 1.362 1.257 0 CA-C-N 119.761 0.95 . . . . 93.58 114.269 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -75.86 -11.62 60.01 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 112.799 0.666 . . . . 127.89 112.799 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 57.21 48.44 15.17 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.112 1.765 . . . . 91.57 112.113 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -111.91 17.86 19.35 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.43 1.892 . . . . 107.99 112.266 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 62.31 21.59 12.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.66 1.584 . . . . 105.29 112.97 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.92 -25.93 74.98 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 114.674 0.63 . . . . 85.1 114.674 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.0 t -138.24 116.15 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.496 -1.298 . . . . 81.3 107.496 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -114.83 139.39 49.78 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.445 0.698 . . . . 83.95 109.746 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -130.65 133.46 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.612 1.338 . . . . 87.02 114.612 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.8 t -119.91 125.86 74.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 106.877 -1.527 . . . . 79.53 106.877 172.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.5 mt -84.76 123.6 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 106.377 -1.712 . . . . 81.31 106.377 173.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -95.97 -34.54 11.75 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 124.084 0.953 . . . . 117.33 109.057 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -140.81 121.2 14.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.638 -0.875 . . . . 113.01 108.638 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.88 134.83 51.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.567 -0.742 . . . . 127.48 110.295 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.23 53.49 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.096 -0.956 . . . . 83.75 111.238 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.282 28.7 m -108.37 163.26 13.36 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 104.892 -2.262 . . . . 106.49 104.892 178.38 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.16 -166.24 29.56 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 114.644 -1.162 . . . . 100.63 110.368 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 p -134.84 -21.82 1.66 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.878 1.271 . . . . 101.8 110.238 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.54 137.53 38.66 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.857 1.263 . . . . 139.69 112.935 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 mtm -118.16 148.17 43.1 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 107.461 -1.311 . . . . 80.1 107.461 173.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 144.35 91.97 Favored 'Trans proline' 0 C--N 1.348 0.518 0 CA-C-N 119.548 0.874 . . . . 72.51 113.24 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 mmt -93.78 168.94 10.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.386 1.874 . . . . 94.93 111.296 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.81 129.13 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.919 -1.141 . . . . 86.18 107.919 176.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.44 62.19 Favored Glycine 0 C--N 1.331 0.252 0 O-C-N 123.831 0.707 . . . . 73.88 114.153 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.45 146.06 50.58 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.967 -0.753 . . . . 78.36 108.967 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -88.88 124.58 34.34 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.369 -1.345 . . . . 85.04 107.369 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.97 143.03 23.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 124.728 1.211 . . . . 66.37 110.225 -175.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -123.04 118.15 27.09 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.76 1.624 . . . . 63.03 108.223 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -131.14 169.41 21.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.054 0.931 . . . . 68.32 113.126 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -124.66 134.61 52.82 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 104.241 -2.503 . . . . 84.55 104.241 165.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -145.49 161.34 39.98 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 113.184 0.809 . . . . 88.29 113.184 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.8 m -138.3 132.02 30.99 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.641 -2.355 . . . . 99.63 104.641 171.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.0 133.13 10.63 Favored Glycine 0 N--CA 1.451 -0.349 0 O-C-N 124.298 0.999 . . . . 100.27 111.618 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 30.1 m-90 -128.96 149.78 50.66 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 124.6 1.16 . . . . 108.97 109.556 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.6 mt -82.68 165.08 20.28 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.184 -2.154 . . . . 120.66 105.184 171.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.25 -24.37 63.15 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.009 1.114 . . . . 117.38 114.009 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.52 12.06 4.07 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 113.493 0.923 . . . . 144.13 113.493 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.48 1.93 90.31 Favored Glycine 0 C--N 1.339 0.708 0 C-N-CA 125.685 1.612 . . . . 117.38 115.985 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -74.56 118.09 17.13 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.399 1.079 . . . . 143.01 111.037 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -74.34 112.98 11.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.111 1.364 . . . . 134.03 108.714 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -94.47 -25.84 16.72 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 113.865 1.061 . . . . 109.98 113.865 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.01 148.33 8.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 99.46 112.866 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.0 t -153.17 130.08 10.99 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 124.046 0.939 . . . . 102.48 110.194 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 72.7 p -76.35 -21.34 56.25 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 123.808 0.693 . . . . 95.21 110.519 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.83 -32.85 69.77 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.908 0.883 . . . . 107.26 111.572 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.83 -10.03 54.6 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 119.058 -0.496 . . . . 130.53 112.021 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.12 164.99 11.55 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.141 1.776 . . . . 127.52 114.534 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -66.59 -18.75 65.54 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 116.102 1.889 . . . . 151.65 116.102 -173.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -155.61 -177.38 6.52 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.151 0.887 . . . . 103.81 111.988 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -69.98 154.19 42.27 Favored 'General case' 0 C--O 1.246 0.912 0 C-N-CA 125.132 1.373 . . . . 102.61 110.313 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -88.34 127.71 35.49 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 106.237 -1.764 . . . . 81.23 106.237 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 p -126.12 151.41 47.27 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 113.742 1.015 . . . . 71.66 113.742 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -168.12 168.07 12.02 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.84 -1.17 . . . . 69.43 107.84 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -91.9 124.6 36.14 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 124.492 1.117 . . . . 87.69 109.078 175.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp -68.89 138.14 54.43 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.351 1.46 . . . . 72.85 114.451 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.6 21.45 76.29 Favored Glycine 0 CA--C 1.506 -0.482 0 C-N-CA 125.576 1.56 . . . . 78.73 115.865 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -109.9 5.96 22.89 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.402 1.26 . . . . 124.18 114.402 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.32 76.85 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 116.217 1.247 . . . . 85.35 116.217 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -78.78 -25.66 44.38 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.533 1.533 . . . . 83.63 110.579 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.4 m -120.62 167.99 13.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 125.453 1.501 . . . . 85.03 109.084 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.9 pt -56.48 152.22 2.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 120.033 -0.667 . . . . 85.95 111.056 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -48.59 -43.83 36.34 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-O 118.497 -0.763 . . . . 146.37 112.325 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.49 -36.8 71.98 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 124.268 1.027 . . . . 73.84 113.708 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -71.57 -41.28 69.23 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.033 0.933 . . . . 75.57 113.042 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.342 -0.614 . . . . 74.76 109.342 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.16 -55.6 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.267 -0.642 . . . . 95.62 109.267 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.11 79.29 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 116.025 1.861 . . . . 65.95 116.025 -171.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.9 -29.02 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-O 118.876 -0.583 . . . . 68.95 109.879 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.43 -17.13 64.3 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.945 0.898 . . . . 67.72 112.798 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 p -100.92 3.91 42.17 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.33 0.652 . . . . 67.93 111.301 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.8 mtp -95.52 146.27 24.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 114.145 1.165 . . . . 67.26 114.145 -175.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -100.97 157.93 16.38 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 106.797 -1.557 . . . . 119.82 106.797 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.78 131.38 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 121.244 -0.91 . . . . 63.32 110.5 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.8 -6.37 76.89 Favored Glycine 0 CA--C 1.51 -0.219 0 CA-C-N 115.038 -0.983 . . . . 67.09 112.211 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -74.4 142.92 44.99 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 109.461 -0.57 . . . . 78.92 109.461 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.11 123.81 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 N-CA-C 105.384 -2.08 . . . . 71.5 105.384 171.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.61 167.16 20.99 Favored 'General case' 0 CA--C 1.501 -0.909 0 C-N-CA 120.862 -0.335 . . . . 76.85 111.048 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -116.65 125.89 52.42 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.324 -2.102 . . . . 90.45 105.324 172.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.78 130.21 69.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 125.391 1.476 . . . . 97.34 109.942 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 85.1 m -108.84 120.08 41.46 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 105.792 -1.929 . . . . 87.41 105.792 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -112.04 113.01 25.05 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.161 1.384 . . . . 87.93 110.433 -173.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -74.46 155.47 87.57 Favored Pre-proline 0 C--N 1.349 0.581 0 N-CA-C 107.933 -1.136 . . . . 110.37 107.933 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.3 -34.33 69.78 Favored 'Trans proline' 0 N--CA 1.482 0.816 0 N-CA-C 116.605 1.733 . . . . 103.29 116.605 -175.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.73 -24.11 63.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.124 0.97 . . . . 139.72 112.379 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -112.12 12.07 20.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.612 1.965 . . . . 94.4 109.73 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.34 -109.06 0.26 Allowed 'General case' 0 C--N 1.344 0.344 0 CA-C-O 116.757 -1.592 . . . . 97.67 110.391 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.91 10.65 22.33 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.216 1.371 . . . . 111.15 114.443 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 49.83 -145.49 8.56 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 124.407 1.003 . . . . 121.19 115.354 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.1 p -76.74 -15.5 59.75 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 113.558 0.947 . . . . 135.68 113.558 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.32 -41.19 41.56 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 118.583 0.629 . . . . 127.26 112.59 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.54 -160.42 47.33 Favored Glycine 0 C--N 1.335 0.524 0 N-CA-C 109.015 -1.634 . . . . 120.9 109.015 -175.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.1 t -150.43 80.93 6.81 Favored Pre-proline 0 C--O 1.241 0.622 0 C-N-CA 123.763 0.825 . . . . 125.49 108.918 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.97 143.58 99.56 Favored 'Trans proline' 0 C--O 1.242 0.698 0 N-CA-C 114.779 1.03 . . . . 144.66 114.779 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -94.29 -14.43 16.06 Favored 'Cis proline' 0 CA--C 1.54 0.785 0 N-CA-C 116.423 1.663 . . . . 145.61 116.423 2.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -76.58 -25.88 54.44 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 116.668 2.099 . . . . 136.57 116.668 -173.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.13 119.45 31.99 Favored Pre-proline 0 C--N 1.351 0.666 0 CA-C-N 119.837 1.199 . . . . 120.63 112.298 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -80.34 173.82 12.02 Favored 'Trans proline' 0 C--O 1.252 1.206 0 C-N-CA 120.166 0.577 . . . . 129.41 113.351 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.49 151.34 85.22 Favored 'Trans proline' 0 C--N 1.369 1.641 0 O-C-N 122.773 0.881 . . . . 141.24 111.705 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 43.85 46.09 6.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.24 2.216 . . . . 147.61 113.616 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.14 133.12 36.65 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.852 1.056 . . . . 111.48 113.852 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.2 m -88.09 129.59 35.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 104.207 -2.516 . . . . 106.84 104.207 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.29 146.41 34.35 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.111 0.412 . . . . 95.51 112.111 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.02 129.51 72.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 N-CA-C 106.762 -1.569 . . . . 90.59 106.762 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -127.28 138.31 53.04 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 119.199 -0.429 . . . . 81.31 110.708 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -102.14 119.65 39.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 103.371 -2.826 . . . . 107.01 103.371 169.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.76 134.41 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 112.542 0.571 . . . . 67.58 112.542 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -116.08 122.96 46.7 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 124.592 1.157 . . . . 82.37 108.847 173.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.8 tp -89.52 111.41 22.31 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.146 -1.057 . . . . 65.67 108.146 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.2 -35.76 15.17 Favored 'General case' 0 C--O 1.238 0.447 0 N-CA-C 114.941 1.46 . . . . 73.13 114.941 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -163.49 155.27 17.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 119.341 -0.361 . . . . 87.49 110.656 -174.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -142.93 136.89 29.03 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 108.274 -1.01 . . . . 67.23 108.274 168.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -106.95 108.55 20.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.091 -1.818 . . . . 83.48 106.091 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -90.74 -173.78 44.22 Favored Glycine 0 C--O 1.236 0.243 0 C-N-CA 124.186 0.898 . . . . 78.21 110.934 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.85 -45.15 95.64 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.921 0.489 . . . . 142.27 111.514 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -116.92 -32.2 5.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.273 0.842 . . . . 103.51 113.273 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 25.5 mt -116.57 142.72 46.51 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 116.074 1.879 . . . . 94.27 116.074 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 76.9 m -109.5 133.78 52.67 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 105.935 -1.876 . . . . 72.08 105.935 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 125.04 45.54 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.091 0.956 . . . . 129.12 108.808 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.13 161.3 38.19 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.544 -0.862 . . . . 96.2 113.128 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.51 158.3 28.62 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 119.219 -0.992 . . . . 86.77 109.478 174.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.74 142.14 49.77 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.585 0.587 . . . . 118.54 112.585 -178.403 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.499 0 C-N-CA 123.834 0.73 . . . . 162.31 113.898 -179.954 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' K0T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 116.678 -1.629 . . . . 150.98 114.06 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -90.9 139.4 2.61 Favored 'Trans proline' 0 C--N 1.372 1.78 0 CA-C-N 122.82 2.043 . . . . 125.37 115.789 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.8 mtm -104.94 89.42 3.15 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.966 -1.494 . . . . 115.7 106.966 176.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -117.98 155.29 30.52 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 113.46 0.911 . . . . 120.02 113.46 -175.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.9 168.08 12.22 Favored Glycine 0 CA--C 1.506 -0.471 0 N-CA-C 118.711 2.244 . . . . 83.08 118.711 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.92 136.87 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.785 2.034 . . . . 77.42 105.922 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -77.13 114.54 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 106.077 -1.823 . . . . 90.14 106.077 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -109.42 5.82 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 122.896 0.478 . . . . 80.59 111.053 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.3 p -67.53 138.16 93.63 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.353 -0.832 . . . . 85.61 108.847 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -59.17 -35.44 97.68 Favored 'Trans proline' 0 C--N 1.362 1.257 0 CA-C-N 119.761 0.95 . . . . 93.58 114.269 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -75.86 -11.62 60.01 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 112.799 0.666 . . . . 127.89 112.799 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 57.21 48.44 15.17 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.112 1.765 . . . . 91.57 112.113 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -111.91 17.86 19.35 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.43 1.892 . . . . 107.99 112.266 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 62.31 21.59 12.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.66 1.584 . . . . 105.29 112.97 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.92 -25.93 74.98 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 114.674 0.63 . . . . 85.1 114.674 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.0 t -138.24 116.15 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.496 -1.298 . . . . 81.3 107.496 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -114.83 139.39 49.78 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.445 0.698 . . . . 83.95 109.746 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -130.65 133.46 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.612 1.338 . . . . 87.02 114.612 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.8 t -119.91 125.86 74.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 106.877 -1.527 . . . . 79.53 106.877 172.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.5 mt -84.76 123.6 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 106.377 -1.712 . . . . 81.31 106.377 173.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -95.97 -34.54 11.75 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 124.084 0.953 . . . . 117.33 109.057 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -140.81 121.2 14.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.638 -0.875 . . . . 113.01 108.638 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.88 134.83 51.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.567 -0.742 . . . . 127.48 110.295 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.23 53.49 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.096 -0.956 . . . . 83.75 111.238 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.282 28.7 m -108.37 163.26 13.36 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 104.892 -2.262 . . . . 106.49 104.892 178.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.16 -166.24 29.56 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 114.644 -1.162 . . . . 100.63 110.368 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 p -134.84 -21.82 1.66 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.878 1.271 . . . . 101.8 110.238 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.54 137.53 38.66 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.857 1.263 . . . . 139.69 112.935 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 mtm -118.16 148.17 43.1 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 107.461 -1.311 . . . . 80.1 107.461 173.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 144.35 91.97 Favored 'Trans proline' 0 C--N 1.348 0.518 0 CA-C-N 119.548 0.874 . . . . 72.51 113.24 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 mmt -93.78 168.94 10.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.386 1.874 . . . . 94.93 111.296 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.81 129.13 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.919 -1.141 . . . . 86.18 107.919 176.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.44 62.19 Favored Glycine 0 C--N 1.331 0.252 0 O-C-N 123.831 0.707 . . . . 73.88 114.153 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.45 146.06 50.58 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.967 -0.753 . . . . 78.36 108.967 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -88.88 124.58 34.34 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.369 -1.345 . . . . 85.04 107.369 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.97 143.03 23.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 124.728 1.211 . . . . 66.37 110.225 -175.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -123.04 118.15 27.09 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.76 1.624 . . . . 63.03 108.223 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -131.14 169.41 21.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.054 0.931 . . . . 68.32 113.126 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -124.66 134.61 52.82 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 104.241 -2.503 . . . . 84.55 104.241 165.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -145.49 161.34 39.98 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 113.184 0.809 . . . . 88.29 113.184 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 69' ' ' SER . 15.8 m -138.3 132.02 30.99 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.641 -2.355 . . . . 99.63 104.641 171.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.0 133.13 10.63 Favored Glycine 0 N--CA 1.451 -0.349 0 O-C-N 124.298 0.999 . . . . 100.27 111.618 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 30.1 m-90 -128.96 149.78 50.66 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 124.6 1.16 . . . . 108.97 109.556 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.6 mt -82.68 165.08 20.28 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.184 -2.154 . . . . 120.66 105.184 171.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.25 -24.37 63.15 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.009 1.114 . . . . 117.38 114.009 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.52 12.06 4.07 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 113.493 0.923 . . . . 144.13 113.493 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.48 1.93 90.31 Favored Glycine 0 C--N 1.339 0.708 0 C-N-CA 125.685 1.612 . . . . 117.38 115.985 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -74.56 118.09 17.13 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.399 1.079 . . . . 143.01 111.037 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -74.34 112.98 11.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.111 1.364 . . . . 134.03 108.714 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 121' ' ' LYS . 32.1 p90 -94.47 -25.84 16.72 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 113.865 1.061 . . . . 109.98 113.865 -179.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.01 148.33 8.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 99.46 112.866 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . 0.465 ' HB2' HG23 ' A' ' 58' ' ' THR . 31.0 t -153.17 130.08 10.99 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 124.046 0.939 . . . . 102.48 110.194 178.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 72.7 p -76.35 -21.34 56.25 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 123.808 0.693 . . . . 95.21 110.519 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.83 -32.85 69.77 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.908 0.883 . . . . 107.26 111.572 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.83 -10.03 54.6 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 119.058 -0.496 . . . . 130.53 112.021 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.12 164.99 11.55 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.141 1.776 . . . . 127.52 114.534 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -66.59 -18.75 65.54 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 116.102 1.889 . . . . 151.65 116.102 -173.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -155.61 -177.38 6.52 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.151 0.887 . . . . 103.81 111.988 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -69.98 154.19 42.27 Favored 'General case' 0 C--O 1.246 0.912 0 C-N-CA 125.132 1.373 . . . . 102.61 110.313 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -88.34 127.71 35.49 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 106.237 -1.764 . . . . 81.23 106.237 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 p -126.12 151.41 47.27 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 113.742 1.015 . . . . 71.66 113.742 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -168.12 168.07 12.02 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.84 -1.17 . . . . 69.43 107.84 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -91.9 124.6 36.14 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 124.492 1.117 . . . . 87.69 109.078 175.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp -68.89 138.14 54.43 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.351 1.46 . . . . 72.85 114.451 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.6 21.45 76.29 Favored Glycine 0 CA--C 1.506 -0.482 0 C-N-CA 125.576 1.56 . . . . 78.73 115.865 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -109.9 5.96 22.89 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.402 1.26 . . . . 124.18 114.402 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.32 76.85 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 116.217 1.247 . . . . 85.35 116.217 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -78.78 -25.66 44.38 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.533 1.533 . . . . 83.63 110.579 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.4 m -120.62 167.99 13.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 125.453 1.501 . . . . 85.03 109.084 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.9 pt -56.48 152.22 2.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 120.033 -0.667 . . . . 85.95 111.056 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -48.59 -43.83 36.34 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-O 118.497 -0.763 . . . . 146.37 112.325 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.49 -36.8 71.98 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 124.268 1.027 . . . . 73.84 113.708 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -71.57 -41.28 69.23 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.033 0.933 . . . . 75.57 113.042 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.342 -0.614 . . . . 74.76 109.342 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.16 -55.6 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.267 -0.642 . . . . 95.62 109.267 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.11 79.29 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 116.025 1.861 . . . . 65.95 116.025 -171.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.9 -29.02 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-O 118.876 -0.583 . . . . 68.95 109.879 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.43 -17.13 64.3 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.945 0.898 . . . . 67.72 112.798 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 p -100.92 3.91 42.17 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.33 0.652 . . . . 67.93 111.301 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.8 mtp -95.52 146.27 24.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 114.145 1.165 . . . . 67.26 114.145 -175.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -100.97 157.93 16.38 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 106.797 -1.557 . . . . 119.82 106.797 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.78 131.38 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 121.244 -0.91 . . . . 63.32 110.5 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . 0.438 ' HA2' ' OE1' ' A' ' 146' ' ' GLU . . . 92.8 -6.37 76.89 Favored Glycine 0 CA--C 1.51 -0.219 0 CA-C-N 115.038 -0.983 . . . . 67.09 112.211 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -74.4 142.92 44.99 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 109.461 -0.57 . . . . 78.92 109.461 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.11 123.81 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 N-CA-C 105.384 -2.08 . . . . 71.5 105.384 171.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.61 167.16 20.99 Favored 'General case' 0 CA--C 1.501 -0.909 0 C-N-CA 120.862 -0.335 . . . . 76.85 111.048 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -116.65 125.89 52.42 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.324 -2.102 . . . . 90.45 105.324 172.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.78 130.21 69.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 125.391 1.476 . . . . 97.34 109.942 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 85.1 m -108.84 120.08 41.46 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 105.792 -1.929 . . . . 87.41 105.792 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -112.04 113.01 25.05 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.161 1.384 . . . . 87.93 110.433 -173.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -74.46 155.47 87.57 Favored Pre-proline 0 C--N 1.349 0.581 0 N-CA-C 107.933 -1.136 . . . . 110.37 107.933 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.3 -34.33 69.78 Favored 'Trans proline' 0 N--CA 1.482 0.816 0 N-CA-C 116.605 1.733 . . . . 103.29 116.605 -175.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.73 -24.11 63.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.124 0.97 . . . . 139.72 112.379 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -112.12 12.07 20.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.612 1.965 . . . . 94.4 109.73 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.34 -109.06 0.26 Allowed 'General case' 0 C--N 1.344 0.344 0 CA-C-O 116.757 -1.592 . . . . 97.67 110.391 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.91 10.65 22.33 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.216 1.371 . . . . 111.15 114.443 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 49.83 -145.49 8.56 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 124.407 1.003 . . . . 121.19 115.354 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.1 p -76.74 -15.5 59.75 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 113.558 0.947 . . . . 135.68 113.558 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.32 -41.19 41.56 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 118.583 0.629 . . . . 127.26 112.59 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.54 -160.42 47.33 Favored Glycine 0 C--N 1.335 0.524 0 N-CA-C 109.015 -1.634 . . . . 120.9 109.015 -175.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.1 t -150.43 80.93 6.81 Favored Pre-proline 0 C--O 1.241 0.622 0 C-N-CA 123.763 0.825 . . . . 125.49 108.918 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.97 143.58 99.56 Favored 'Trans proline' 0 C--O 1.242 0.698 0 N-CA-C 114.779 1.03 . . . . 144.66 114.779 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -94.29 -14.43 16.06 Favored 'Cis proline' 0 CA--C 1.54 0.785 0 N-CA-C 116.423 1.663 . . . . 145.61 116.423 2.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 6.2 ptpt -76.58 -25.88 54.44 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 116.668 2.099 . . . . 136.57 116.668 -173.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.13 119.45 31.99 Favored Pre-proline 0 C--N 1.351 0.666 0 CA-C-N 119.837 1.199 . . . . 120.63 112.298 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -80.34 173.82 12.02 Favored 'Trans proline' 0 C--O 1.252 1.206 0 C-N-CA 120.166 0.577 . . . . 129.41 113.351 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.49 151.34 85.22 Favored 'Trans proline' 0 C--N 1.369 1.641 0 O-C-N 122.773 0.881 . . . . 141.24 111.705 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 43.85 46.09 6.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.24 2.216 . . . . 147.61 113.616 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.14 133.12 36.65 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.852 1.056 . . . . 111.48 113.852 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.2 m -88.09 129.59 35.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 104.207 -2.516 . . . . 106.84 104.207 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.29 146.41 34.35 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.111 0.412 . . . . 95.51 112.111 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.02 129.51 72.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 N-CA-C 106.762 -1.569 . . . . 90.59 106.762 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -127.28 138.31 53.04 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 119.199 -0.429 . . . . 81.31 110.708 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -102.14 119.65 39.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 103.371 -2.826 . . . . 107.01 103.371 169.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.76 134.41 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 112.542 0.571 . . . . 67.58 112.542 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -116.08 122.96 46.7 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 124.592 1.157 . . . . 82.37 108.847 173.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.8 tp -89.52 111.41 22.31 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.146 -1.057 . . . . 65.67 108.146 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.2 -35.76 15.17 Favored 'General case' 0 C--O 1.238 0.447 0 N-CA-C 114.941 1.46 . . . . 73.13 114.941 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLU . . . . . 0.414 ' OE2' ' HE3' ' A' ' 138' ' ' LYS . 73.6 tt0 -163.49 155.27 17.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 119.341 -0.361 . . . . 87.49 110.656 -174.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -142.93 136.89 29.03 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 108.274 -1.01 . . . . 67.23 108.274 168.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' LYS . . . . . 0.414 ' HE3' ' OE2' ' A' ' 136' ' ' GLU . 66.4 mttt -106.95 108.55 20.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.091 -1.818 . . . . 83.48 106.091 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -90.74 -173.78 44.22 Favored Glycine 0 C--O 1.236 0.243 0 C-N-CA 124.186 0.898 . . . . 78.21 110.934 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.85 -45.15 95.64 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.921 0.489 . . . . 142.27 111.514 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -116.92 -32.2 5.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.273 0.842 . . . . 103.51 113.273 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 25.5 mt -116.57 142.72 46.51 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 116.074 1.879 . . . . 94.27 116.074 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 76.9 m -109.5 133.78 52.67 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 105.935 -1.876 . . . . 72.08 105.935 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 125.04 45.54 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.091 0.956 . . . . 129.12 108.808 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.13 161.3 38.19 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.544 -0.862 . . . . 96.2 113.128 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' GLU . . . . . 0.438 ' OE1' ' HA2' ' A' ' 100' ' ' GLY . 0.8 OUTLIER -78.51 158.3 28.62 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 119.219 -0.992 . . . . 86.77 109.478 174.362 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.74 142.14 49.77 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.585 0.587 . . . . 118.54 112.585 -178.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.499 0 C-N-CA 123.834 0.73 . . . . 162.31 113.898 -179.954 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' K0T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.553 1.067 0 CA-C-O 116.678 -1.629 . . . . 150.98 114.06 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -90.9 139.4 2.61 Favored 'Trans proline' 0 C--N 1.372 1.78 0 CA-C-N 122.82 2.043 . . . . 125.37 115.789 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.8 mtm -104.94 89.42 3.15 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.966 -1.494 . . . . 115.7 106.966 176.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -117.98 155.29 30.52 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 113.46 0.911 . . . . 120.02 113.46 -175.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.9 168.08 12.22 Favored Glycine 0 CA--C 1.506 -0.471 0 N-CA-C 118.711 2.244 . . . . 83.08 118.711 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.92 136.87 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 126.785 2.034 . . . . 77.42 105.922 177.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -77.13 114.54 16.05 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 106.077 -1.823 . . . . 90.14 106.077 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.9 pt -109.42 5.82 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 122.896 0.478 . . . . 80.59 111.053 -177.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.3 p -67.53 138.16 93.63 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-O 118.353 -0.832 . . . . 85.61 108.847 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -59.17 -35.44 97.68 Favored 'Trans proline' 0 C--N 1.362 1.257 0 CA-C-N 119.761 0.95 . . . . 93.58 114.269 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -75.86 -11.62 60.01 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 112.799 0.666 . . . . 127.89 112.799 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 57.21 48.44 15.17 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.112 1.765 . . . . 91.57 112.113 -179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -111.91 17.86 19.35 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.43 1.892 . . . . 107.99 112.266 -178.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 62.31 21.59 12.62 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.66 1.584 . . . . 105.29 112.97 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.92 -25.93 74.98 Favored Glycine 0 C--O 1.239 0.413 0 N-CA-C 114.674 0.63 . . . . 85.1 114.674 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.0 t -138.24 116.15 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.496 -1.298 . . . . 81.3 107.496 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -114.83 139.39 49.78 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.445 0.698 . . . . 83.95 109.746 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -130.65 133.46 46.14 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.612 1.338 . . . . 87.02 114.612 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.8 t -119.91 125.86 74.71 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 106.877 -1.527 . . . . 79.53 106.877 172.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.5 mt -84.76 123.6 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 106.377 -1.712 . . . . 81.31 106.377 173.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -95.97 -34.54 11.75 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 124.084 0.953 . . . . 117.33 109.057 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -140.81 121.2 14.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 108.638 -0.875 . . . . 113.01 108.638 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.88 134.83 51.52 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.567 -0.742 . . . . 127.48 110.295 179.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.23 53.49 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.096 -0.956 . . . . 83.75 111.238 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.282 28.7 m -108.37 163.26 13.36 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 104.892 -2.262 . . . . 106.49 104.892 178.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.16 -166.24 29.56 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 114.644 -1.162 . . . . 100.63 110.368 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 p -134.84 -21.82 1.66 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.878 1.271 . . . . 101.8 110.238 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.54 137.53 38.66 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.857 1.263 . . . . 139.69 112.935 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 55.7 mtm -118.16 148.17 43.1 Favored Pre-proline 0 N--CA 1.464 0.27 0 N-CA-C 107.461 -1.311 . . . . 80.1 107.461 173.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -63.16 144.35 91.97 Favored 'Trans proline' 0 C--N 1.348 0.518 0 CA-C-N 119.548 0.874 . . . . 72.51 113.24 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 32.8 mmt -93.78 168.94 10.67 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.386 1.874 . . . . 94.93 111.296 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -64.81 129.13 28.55 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.919 -1.141 . . . . 86.18 107.919 176.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.38 -15.44 62.19 Favored Glycine 0 C--N 1.331 0.252 0 O-C-N 123.831 0.707 . . . . 73.88 114.153 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -70.45 146.06 50.58 Favored 'General case' 0 C--O 1.243 0.732 0 N-CA-C 108.967 -0.753 . . . . 78.36 108.967 178.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.4 ttt85 -88.88 124.58 34.34 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.369 -1.345 . . . . 85.04 107.369 175.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -112.97 143.03 23.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 124.728 1.211 . . . . 66.37 110.225 -175.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -123.04 118.15 27.09 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.76 1.624 . . . . 63.03 108.223 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 m -131.14 169.41 21.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 122.054 0.931 . . . . 68.32 113.126 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -124.66 134.61 52.82 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 104.241 -2.503 . . . . 84.55 104.241 165.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -145.49 161.34 39.98 Favored 'General case' 0 CA--C 1.505 -0.772 0 N-CA-C 113.184 0.809 . . . . 88.29 113.184 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 69' ' ' SER . 15.8 m -138.3 132.02 30.99 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 104.641 -2.355 . . . . 99.63 104.641 171.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.0 133.13 10.63 Favored Glycine 0 N--CA 1.451 -0.349 0 O-C-N 124.298 0.999 . . . . 100.27 111.618 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 30.1 m-90 -128.96 149.78 50.66 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 124.6 1.16 . . . . 108.97 109.556 -179.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.6 mt -82.68 165.08 20.28 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.184 -2.154 . . . . 120.66 105.184 171.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.25 -24.37 63.15 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.009 1.114 . . . . 117.38 114.009 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.52 12.06 4.07 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 113.493 0.923 . . . . 144.13 113.493 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.48 1.93 90.31 Favored Glycine 0 C--N 1.339 0.708 0 C-N-CA 125.685 1.612 . . . . 117.38 115.985 177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 m -74.56 118.09 17.13 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.399 1.079 . . . . 143.01 111.037 -178.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -74.34 112.98 11.04 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.111 1.364 . . . . 134.03 108.714 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 121' ' ' LYS . 32.1 p90 -94.47 -25.84 16.72 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 113.865 1.061 . . . . 109.98 113.865 -179.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -165.01 148.33 8.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.466 0.706 . . . . 99.46 112.866 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . 0.465 ' HB2' HG23 ' A' ' 58' ' ' THR . 31.0 t -153.17 130.08 10.99 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 124.046 0.939 . . . . 102.48 110.194 178.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 72.7 p -76.35 -21.34 56.25 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 123.808 0.693 . . . . 95.21 110.519 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.83 -32.85 69.77 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.908 0.883 . . . . 107.26 111.572 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.83 -10.03 54.6 Favored 'General case' 0 CA--C 1.559 1.313 0 CA-C-O 119.058 -0.496 . . . . 130.53 112.021 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.12 164.99 11.55 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.141 1.776 . . . . 127.52 114.534 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -66.59 -18.75 65.54 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 116.102 1.889 . . . . 151.65 116.102 -173.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -155.61 -177.38 6.52 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 119.151 0.887 . . . . 103.81 111.988 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -69.98 154.19 42.27 Favored 'General case' 0 C--O 1.246 0.912 0 C-N-CA 125.132 1.373 . . . . 102.61 110.313 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -88.34 127.71 35.49 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 106.237 -1.764 . . . . 81.23 106.237 177.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 p -126.12 151.41 47.27 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 113.742 1.015 . . . . 71.66 113.742 -179.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -168.12 168.07 12.02 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.84 -1.17 . . . . 69.43 107.84 -179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -91.9 124.6 36.14 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 124.492 1.117 . . . . 87.69 109.078 175.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp -68.89 138.14 54.43 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.351 1.46 . . . . 72.85 114.451 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.6 21.45 76.29 Favored Glycine 0 CA--C 1.506 -0.482 0 C-N-CA 125.576 1.56 . . . . 78.73 115.865 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -109.9 5.96 22.89 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.402 1.26 . . . . 124.18 114.402 -179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.32 76.85 Favored Glycine 0 C--O 1.222 -0.621 0 N-CA-C 116.217 1.247 . . . . 85.35 116.217 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -78.78 -25.66 44.38 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.533 1.533 . . . . 83.63 110.579 174.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.4 m -120.62 167.99 13.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 125.453 1.501 . . . . 85.03 109.084 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.9 pt -56.48 152.22 2.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 120.033 -0.667 . . . . 85.95 111.056 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -48.59 -43.83 36.34 Favored 'General case' 0 CA--C 1.492 -1.278 0 CA-C-O 118.497 -0.763 . . . . 146.37 112.325 -178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.49 -36.8 71.98 Favored 'General case' 0 C--O 1.247 0.934 0 C-N-CA 124.268 1.027 . . . . 73.84 113.708 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -71.57 -41.28 69.23 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 124.033 0.933 . . . . 75.57 113.042 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.342 -0.614 . . . . 74.76 109.342 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.6 mm -70.16 -55.6 14.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.267 -0.642 . . . . 95.62 109.267 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.11 79.29 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 116.025 1.861 . . . . 65.95 116.025 -171.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.9 -29.02 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.007 0 CA-C-O 118.876 -0.583 . . . . 68.95 109.879 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.43 -17.13 64.3 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.945 0.898 . . . . 67.72 112.798 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.7 p -100.92 3.91 42.17 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.33 0.652 . . . . 67.93 111.301 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 83.8 mtp -95.52 146.27 24.57 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 114.145 1.165 . . . . 67.26 114.145 -175.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -100.97 157.93 16.38 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 106.797 -1.557 . . . . 119.82 106.797 173.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.3 t -65.78 131.38 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 O-C-N 121.244 -0.91 . . . . 63.32 110.5 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.438 ' HA2' ' OE1' ' A' ' 146' ' ' GLU . . . 92.8 -6.37 76.89 Favored Glycine 0 CA--C 1.51 -0.219 0 CA-C-N 115.038 -0.983 . . . . 67.09 112.211 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -74.4 142.92 44.99 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 109.461 -0.57 . . . . 78.92 109.461 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.11 123.81 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 N-CA-C 105.384 -2.08 . . . . 71.5 105.384 171.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.2 p -133.61 167.16 20.99 Favored 'General case' 0 CA--C 1.501 -0.909 0 C-N-CA 120.862 -0.335 . . . . 76.85 111.048 179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -116.65 125.89 52.42 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 105.324 -2.102 . . . . 90.45 105.324 172.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.78 130.21 69.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 125.391 1.476 . . . . 97.34 109.942 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 85.1 m -108.84 120.08 41.46 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 105.792 -1.929 . . . . 87.41 105.792 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -112.04 113.01 25.05 Favored 'General case' 0 CA--C 1.509 -0.611 0 C-N-CA 125.161 1.384 . . . . 87.93 110.433 -173.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 62.6 mmtt -74.46 155.47 87.57 Favored Pre-proline 0 C--N 1.349 0.581 0 N-CA-C 107.933 -1.136 . . . . 110.37 107.933 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.3 -34.33 69.78 Favored 'Trans proline' 0 N--CA 1.482 0.816 0 N-CA-C 116.605 1.733 . . . . 103.29 116.605 -175.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -59.73 -24.11 63.75 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.124 0.97 . . . . 139.72 112.379 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -112.12 12.07 20.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.612 1.965 . . . . 94.4 109.73 -177.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.34 -109.06 0.26 Allowed 'General case' 0 C--N 1.344 0.344 0 CA-C-O 116.757 -1.592 . . . . 97.67 110.391 177.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -110.91 10.65 22.33 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 120.216 1.371 . . . . 111.15 114.443 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 49.83 -145.49 8.56 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 124.407 1.003 . . . . 121.19 115.354 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.1 p -76.74 -15.5 59.75 Favored 'General case' 0 C--N 1.344 0.357 0 N-CA-C 113.558 0.947 . . . . 135.68 113.558 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.32 -41.19 41.56 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-N 118.583 0.629 . . . . 127.26 112.59 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.54 -160.42 47.33 Favored Glycine 0 C--N 1.335 0.524 0 N-CA-C 109.015 -1.634 . . . . 120.9 109.015 -175.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.1 t -150.43 80.93 6.81 Favored Pre-proline 0 C--O 1.241 0.622 0 C-N-CA 123.763 0.825 . . . . 125.49 108.918 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -59.97 143.58 99.56 Favored 'Trans proline' 0 C--O 1.242 0.698 0 N-CA-C 114.779 1.03 . . . . 144.66 114.779 -179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -94.29 -14.43 16.06 Favored 'Cis proline' 0 CA--C 1.54 0.785 0 N-CA-C 116.423 1.663 . . . . 145.61 116.423 2.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 6.2 ptpt -76.58 -25.88 54.44 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 116.668 2.099 . . . . 136.57 116.668 -173.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 90.4 mt -119.13 119.45 31.99 Favored Pre-proline 0 C--N 1.351 0.666 0 CA-C-N 119.837 1.199 . . . . 120.63 112.298 -179.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -80.34 173.82 12.02 Favored 'Trans proline' 0 C--O 1.252 1.206 0 C-N-CA 120.166 0.577 . . . . 129.41 113.351 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -65.49 151.34 85.22 Favored 'Trans proline' 0 C--N 1.369 1.641 0 O-C-N 122.773 0.881 . . . . 141.24 111.705 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 43.85 46.09 6.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.24 2.216 . . . . 147.61 113.616 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.14 133.12 36.65 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 113.852 1.056 . . . . 111.48 113.852 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.2 m -88.09 129.59 35.25 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 104.207 -2.516 . . . . 106.84 104.207 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.9 mt -109.29 146.41 34.35 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 112.111 0.412 . . . . 95.51 112.111 -178.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 66.5 t -116.02 129.51 72.29 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.327 0 N-CA-C 106.762 -1.569 . . . . 90.59 106.762 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -127.28 138.31 53.04 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 119.199 -0.429 . . . . 81.31 110.708 176.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -102.14 119.65 39.15 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 103.371 -2.826 . . . . 107.01 103.371 169.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.76 134.41 66.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 112.542 0.571 . . . . 67.58 112.542 -177.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -116.08 122.96 46.7 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 124.592 1.157 . . . . 82.37 108.847 173.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.8 tp -89.52 111.41 22.31 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.146 -1.057 . . . . 65.67 108.146 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -90.2 -35.76 15.17 Favored 'General case' 0 C--O 1.238 0.447 0 N-CA-C 114.941 1.46 . . . . 73.13 114.941 -178.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.414 ' OE2' ' HE3' ' A' ' 138' ' ' LYS . 73.6 tt0 -163.49 155.27 17.28 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 119.341 -0.361 . . . . 87.49 110.656 -174.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -142.93 136.89 29.03 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 108.274 -1.01 . . . . 67.23 108.274 168.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.414 ' HE3' ' OE2' ' A' ' 136' ' ' GLU . 66.4 mttt -106.95 108.55 20.11 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 106.091 -1.818 . . . . 83.48 106.091 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -90.74 -173.78 44.22 Favored Glycine 0 C--O 1.236 0.243 0 C-N-CA 124.186 0.898 . . . . 78.21 110.934 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.85 -45.15 95.64 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.921 0.489 . . . . 142.27 111.514 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -116.92 -32.2 5.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 113.273 0.842 . . . . 103.51 113.273 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 25.5 mt -116.57 142.72 46.51 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 116.074 1.879 . . . . 94.27 116.074 -178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 76.9 m -109.5 133.78 52.67 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 105.935 -1.876 . . . . 72.08 105.935 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 125.04 45.54 Favored 'General case' 0 C--O 1.216 -0.694 0 C-N-CA 124.091 0.956 . . . . 129.12 108.808 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -141.13 161.3 38.19 Favored 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 119.544 -0.862 . . . . 96.2 113.128 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.438 ' OE1' ' HA2' ' A' ' 100' ' ' GLY . 0.8 OUTLIER -78.51 158.3 28.62 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 119.219 -0.992 . . . . 86.77 109.478 174.362 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.74 142.14 49.77 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.585 0.587 . . . . 118.54 112.585 -178.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.499 0 C-N-CA 123.834 0.73 . . . . 162.31 113.898 -179.954 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' K0T . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_