data_4lb1_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4lb1 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 106.04 -1.837 . . . . 73.430000000000007 106.04 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 97.9 m -115.2 137.56 51.89 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 122.027 0.917 . . . . 96.730000000000004 110.221 -175.028 -65.764 -91.275 107.025 120.007 2.017 118.401 -83.139 -49.572 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -122.33 137.3 54.9 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.495 -1.23 . . . . 77.370000000000005 107.689 -170.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' CYS . . . . . . . . . . . . . 31.0 m -92.17 135.52 33.92 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.105 -0.997 . . . . 57.020000000000003 112.276 -175.81 -50.022 -87.821 -88.348 96.996 2.095 104.276 -162.799 -45.27 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -145.32 156.74 43.99 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.874 0.694 . . . . 76.980000000000004 112.874 -172.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -137.03 152.99 74.92 Favored Pre-proline 0 C--O 1.236 0.373 0 N-CA-C 105.723 -1.955 . . . . 73.730000000000004 105.723 166.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -81.12 -15.66 31.57 Favored 'Cis proline' 0 C--N 1.32 -0.941 0 O-C-N 122.86 0.926 . . . . 72.420000000000002 112.984 -5.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.49 169.42 20.96 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 117.446 -1.701 . . . . 68.780000000000001 113.533 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.36 161.13 31.02 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 105.944 -1.873 . . . . 73.340000000000003 105.944 175.705 -66.951 -47.839 -85.575 110.031 2.051 95.413 -84.415 -45.814 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -110.69 -176.45 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.989 0 C-N-CA 119.771 -0.772 . . . . 77.5 111.207 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 130.94 46.79 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 107.714 -1.217 . . . . 80.469999999999999 107.714 -170.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.24 -15.8 53.99 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.044 -1.622 . . . . 73.590000000000003 109.044 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -108.4 152.62 24.43 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 120.536 -0.466 . . . . 70.219999999999999 111.861 -175.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -115.17 132.05 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.519 -2.03 . . . . 99.420000000000002 105.519 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -81.62 117.6 22.11 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 118.7 -1.2 . . . . 78.0 109.044 177.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.0 -21.79 16.06 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.708 -0.224 . . . . 61.729999999999997 111.373 -177.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.39 -139.5 4.13 Favored Glycine 0 CA--C 1.487 -1.659 0 C-N-CA 116.508 -2.758 . . . . 59.770000000000003 109.532 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 83.7 m -144.65 146.65 32.36 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.083 0.468 . . . . 66.180000000000007 109.855 -171.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 m -111.24 153.11 26.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.752 -0.832 . . . . 60.469999999999999 108.752 172.582 -45.27 -162.799 -88.348 104.276 2.095 96.996 -87.821 -50.022 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 59.2 mt -128.1 117.08 44.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 O-C-N 123.482 0.489 . . . . 80.790000000000006 110.079 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -172.15 159.46 4.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.611 0.72 . . . . 70.689999999999998 110.001 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 46.88 40.08 8.5 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.661 -1.609 . . . . 91.219999999999999 114.504 -171.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.75 10.37 86.28 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 116.292 1.277 . . . . 72.769999999999996 116.292 176.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.74 170.21 16.53 Favored 'General case' 0 C--O 1.205 -1.282 0 C-N-CA 116.979 -1.888 . . . . 75.319999999999993 113.238 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.27 147.63 22.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 123.609 0.763 . . . . 67.200000000000003 111.926 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -133.72 159.74 39.64 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.175 . . . . 65.780000000000001 107.826 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.31 36.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.824 -0.806 . . . . 65.180000000000007 108.824 173.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.12 113.73 26.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 110.217 -0.29 . . . . 57.759999999999998 110.217 172.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -116.34 122.26 44.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 118.616 -1.234 . . . . 63.399999999999999 114.158 -166.791 -45.814 -84.415 -85.575 95.413 2.051 110.031 -47.839 -66.951 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 117.9 -1.047 . . . . 90.420000000000002 110.824 -171.169 -49.572 -83.139 107.025 118.401 2.017 120.007 -91.275 -65.764 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.727 0 N-CA-C 108.253 -1.017 . . . . 80.260000000000005 108.253 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' CYS . . . . . . . . . . . . . 72.2 m -114.46 138.83 50.1 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 114.725 -1.125 . . . . 90.790000000000006 109.264 -175.055 -62.077 -103.496 110.197 117.011 2.007 113.339 -77.589 -51.935 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -121.82 138.1 54.51 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 105.117 -2.179 . . . . 97.0 105.117 -170.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' CYS . . . . . . . . . . . . . 43.1 m -90.78 136.25 33.19 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 120.433 -1.417 . . . . 66.159999999999997 110.276 -177.391 -52.695 -83.15 -94.093 95.675 2.094 102.877 -161.639 -42.787 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -149.92 153.6 36.91 Favored 'General case' 0 C--O 1.198 -1.658 0 N-CA-C 114.006 1.113 . . . . 88.180000000000007 114.006 -172.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 13.9 pt -138.7 153.03 71.88 Favored Pre-proline 0 CA--C 1.505 -0.773 0 N-CA-C 107.211 -1.403 . . . . 73.359999999999999 107.211 167.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -78.43 -16.24 27.36 Favored 'Cis proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.57 -1.013 . . . . 78.540000000000006 112.701 -3.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.55 171.04 17.73 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.929 1.455 . . . . 73.900000000000006 114.929 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 91.7 m -73.52 161.41 30.4 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 106.352 -1.721 . . . . 72.260000000000005 106.352 174.571 -66.532 -44.561 -88.937 111.531 2.035 97.866 -81.215 -54.923 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -115.19 -175.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 118.271 -1.372 . . . . 79.530000000000001 111.592 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 129.3 40.74 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.697 -1.138 . . . . 82.760000000000005 108.159 -167.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.55 -17.32 53.55 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.688 -1.244 . . . . 79.299999999999997 112.031 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -106.65 150.61 26.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.915 0.358 . . . . 70.359999999999999 111.572 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.1 135.58 53.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 106.503 -1.665 . . . . 119.64 106.503 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -76.34 118.61 19.22 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 119.457 -0.897 . . . . 81.689999999999998 109.798 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.49 -22.53 15.46 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 120.345 -0.542 . . . . 63.740000000000002 110.513 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.9 -138.98 4.4 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 117.827 -2.13 . . . . 68.900000000000006 109.049 -172.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' THR . . . . . . . . . . . . . 88.5 m -143.32 146.16 33.32 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 123.764 0.332 . . . . 71.890000000000001 110.357 -168.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' CYS . . . . . . . . . . . . . 6.2 m -112.88 152.35 29.39 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.127 -0.694 . . . . 69.040000000000006 109.127 172.106 -42.787 -161.639 -94.093 102.877 2.094 95.675 -83.15 -52.695 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 10.4 pt -128.03 126.09 65.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 118.573 -1.251 . . . . 74.209999999999994 109.833 172.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -171.64 160.99 5.98 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.259 -1.015 . . . . 76.75 108.259 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 45.37 38.85 3.92 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.597 1.703 . . . . 91.650000000000006 115.597 -170.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 11.24 85.66 Favored Glycine 0 C--O 1.215 -1.058 0 N-CA-C 116.405 1.322 . . . . 66.920000000000002 116.405 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' ARG . . . . . 0.42 ' CG ' ' N ' ' E' ' 25' ' ' LEU . 2.0 ttm-85 -143.22 168.15 20.46 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 117.802 -1.559 . . . . 80.819999999999993 110.445 -174.906 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' LEU . . . . . 0.42 ' N ' ' CG ' ' E' ' 24' ' ' ARG . 86.0 mt -91.69 148.32 22.34 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 124.08 0.952 . . . . 70.420000000000002 112.234 171.851 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -134.18 158.87 42.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.26 -1.015 . . . . 68.349999999999994 108.26 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.45 133.25 37.48 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.011 -1.477 . . . . 64.689999999999998 107.011 173.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.77 112.61 24.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.234 -1.395 . . . . 63.840000000000003 107.234 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' CYS . . . . . . . . . . . . . 58.7 m -113.43 121.26 43.76 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 114.52 1.304 . . . . 66.219999999999999 114.52 -168.44 -54.923 -81.215 -88.937 97.866 2.035 111.531 -44.561 -66.532 1 1 . 1 . 001 ecloud orig full ' E' E ' 30' ' ' CYS . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 117.828 -1.082 . . . . 82.180000000000007 110.911 -170.621 -51.935 -77.589 110.197 113.339 2.007 117.011 -103.496 -62.077 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 105.645 -1.984 . . . . 76.719999999999999 105.645 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 93.1 m -109.56 137.69 47.02 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 117.575 -1.65 . . . . 89.140000000000001 106.836 -179.398 -65.017 -102.783 115.509 108.965 2.02 108.318 -84.778 -48.868 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -120.56 139.04 53.51 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.787 -1.19 . . . . 79.5 107.787 -169.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.2 m -93.27 135.01 34.89 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.923 -1.11 . . . . 59.049999999999997 110.7 -175.424 -57.002 -83.984 -94.464 100.711 2.073 106.171 -163.703 -38.958 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -148.45 155.48 41.25 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.91 1.078 . . . . 82.549999999999997 113.91 -172.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.3 pt -139.81 153.11 69.56 Favored Pre-proline 0 N--CA 1.474 0.757 0 N-CA-C 106.767 -1.568 . . . . 71.200000000000003 106.767 167.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -80.39 -15.18 31.85 Favored 'Cis proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.476 -1.468 . . . . 75.849999999999994 113.427 -3.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.33 171.74 16.5 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 117.977 -1.489 . . . . 71.060000000000002 113.228 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.72 160.92 31.78 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.224 -1.399 . . . . 69.629999999999995 107.224 176.745 -65.322 -50.366 -83.177 109.484 2.048 109.286 -80.225 -59.695 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.34 -175.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 118.262 -1.375 . . . . 80.549999999999997 111.378 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 131.78 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.108 -1.071 . . . . 83.040000000000006 108.108 -166.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.53 -18.06 48.79 Favored Glycine 0 CA--C 1.503 -0.669 0 C-N-CA 119.436 -1.364 . . . . 75.670000000000002 110.754 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -104.34 151.53 23.35 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.741 0.645 . . . . 67.299999999999997 112.741 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttp85 -114.06 132.52 55.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.311 -1.366 . . . . 108.72 107.311 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -77.51 117.84 19.35 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 118.279 -1.368 . . . . 79.060000000000002 109.068 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.07 -22.27 15.28 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.051 0.453 . . . . 58.259999999999998 111.575 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.93 -137.8 3.87 Favored Glycine 0 CA--C 1.494 -1.257 0 C-N-CA 117.055 -2.498 . . . . 60.07 109.587 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 20' ' ' ILE . 31.6 m -143.16 146.45 33.72 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-O 122.032 0.92 . . . . 62.700000000000003 112.381 -171.757 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.52 151.57 29.82 Favored 'General case' 0 C--O 1.26 1.653 0 O-C-N 121.6 -0.688 . . . . 62.829999999999998 110.255 171.454 -38.958 -163.703 -94.464 106.171 2.073 100.711 -83.984 -57.002 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.6 pt -128.13 122.12 57.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-O 121.795 0.807 . . . . 75.790000000000006 111.802 172.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -171.02 163.65 7.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 70.969999999999999 109.245 173.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 49.99 36.83 12.61 Favored 'General case' 0 C--O 1.252 1.224 0 C-N-CA 124.028 0.931 . . . . 92.120000000000005 111.367 -174.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.52 9.17 84.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 118.475 2.15 . . . . 66.849999999999994 118.475 175.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -144.86 171.15 14.83 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 114.61 1.337 . . . . 67.109999999999999 114.61 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 mt -91.05 147.81 22.82 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.807 0.443 . . . . 68.739999999999995 111.317 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -134.01 159.57 40.37 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.824 -1.176 . . . . 64.540000000000006 107.824 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.66 134.6 37.12 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.229 -1.026 . . . . 57.759999999999998 108.229 172.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.97 115.45 28.0 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.77 -1.196 . . . . 59.07 107.77 173.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -114.59 121.57 43.84 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 118.972 -1.091 . . . . 62.640000000000001 113.419 -168.928 -59.695 -80.225 -83.177 109.286 2.048 109.484 -50.366 -65.322 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.453 1.101 . . . . 74.969999999999999 110.695 -171.215 -48.868 -84.778 115.509 108.318 2.02 108.965 -102.783 -65.017 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.926 0 CA-C-O 119.302 -0.38 . . . . 70.909999999999997 110.836 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.65 136.49 52.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 106.956 -1.498 . . . . 87.189999999999998 106.956 -177.686 -62.536 -98.756 114.895 104.966 2.025 111.477 -89.12 -51.395 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -124.29 137.75 54.46 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.256 -1.387 . . . . 83.5 107.256 -168.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 57.0 m -89.64 138.22 31.65 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 120.935 -1.103 . . . . 58.049999999999997 112.48 -175.597 -54.136 -88.123 -89.085 98.784 2.055 106.494 -163.466 -42.491 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 -147.57 156.21 42.59 Favored 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 114.317 1.228 . . . . 79.989999999999995 114.317 -173.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt -139.15 153.72 71.6 Favored Pre-proline 0 CA--C 1.52 -0.21 0 N-CA-C 105.924 -1.88 . . . . 70.209999999999994 105.924 166.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -82.21 -13.87 36.46 Favored 'Cis proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.899 -1.292 . . . . 75.400000000000006 115.115 -5.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.38 170.16 17.94 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.025 -1.07 . . . . 69.260000000000005 111.706 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.2 m -73.6 162.64 29.0 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 105.365 -2.087 . . . . 67.780000000000001 105.365 175.578 -60.752 -55.356 -79.623 104.732 2.067 103.252 -82.659 -53.925 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.47 -171.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 117.574 -1.651 . . . . 78.989999999999995 111.592 178.458 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 130.0 43.86 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.941 -1.027 . . . . 84.189999999999998 109.883 -168.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.79 -17.81 53.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 119.408 -1.377 . . . . 73.040000000000006 111.131 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.17 150.27 26.79 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 109.447 -0.575 . . . . 68.489999999999995 109.447 -174.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -117.78 139.6 50.84 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.338 -0.616 . . . . 95.170000000000002 109.338 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.45 117.54 19.75 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.848 -0.741 . . . . 80.010000000000005 110.564 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.63 -22.78 16.29 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 109.217 -0.661 . . . . 58.189999999999998 109.217 -176.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.62 -139.87 4.04 Favored Glycine 0 CA--C 1.491 -1.408 0 C-N-CA 117.234 -2.412 . . . . 62.420000000000002 110.33 -172.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.8 m -143.78 146.07 32.84 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 124.68 0.871 . . . . 64.219999999999999 110.328 -171.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 m -111.71 155.47 23.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.793 -0.447 . . . . 60.939999999999998 109.793 172.915 -42.491 -163.466 -89.085 106.494 2.055 98.784 -88.123 -54.136 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' THR . 73.9 mt -131.29 116.84 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 110.073 -0.343 . . . . 78.739999999999995 110.073 177.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -171.98 160.65 5.46 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.39 0.614 . . . . 69.390000000000001 110.23 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 44.65 39.85 3.67 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 113.65 -1.614 . . . . 88.209999999999994 114.966 -168.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.59 10.32 86.31 Favored Glycine 0 C--O 1.212 -1.256 0 N-CA-C 118.329 2.092 . . . . 69.920000000000002 118.329 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -144.2 172.84 12.36 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 118.946 1.373 . . . . 69.939999999999998 111.324 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -92.14 149.89 21.23 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.353 1.061 . . . . 66.140000000000001 111.793 174.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -135.51 160.38 38.65 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.426 -1.694 . . . . 68.390000000000001 106.426 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.28 135.62 36.81 Favored 'General case' 0 C--O 1.206 -1.235 0 N-CA-C 108.468 -0.938 . . . . 59.399999999999999 108.468 171.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.87 111.86 23.56 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 107.617 -1.253 . . . . 61.939999999999998 107.617 171.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 56.5 m -114.47 119.99 38.74 Favored 'General case' 0 CA--C 1.482 -1.655 0 C-N-CA 120.106 -0.638 . . . . 61.020000000000003 112.639 -169.208 -53.925 -82.659 -79.623 103.252 2.067 104.732 -55.356 -60.752 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.468 0.45 0 O-C-N 124.314 1.009 . . . . 78.689999999999998 109.513 -171.048 -51.395 -89.12 114.895 111.477 2.025 104.966 -98.756 -62.536 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 106.04 -1.837 . . . . 73.430000000000007 106.04 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 97.9 m -115.2 137.56 51.89 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 122.027 0.917 . . . . 96.730000000000004 110.221 -175.028 -65.764 -91.275 107.025 120.007 2.017 118.401 -83.139 -49.572 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' TYR . . . . . 0.45 ' HE2' ' H3 ' ' E' ' 1' ' ' ALA . 83.6 t80 -122.33 137.3 54.9 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.495 -1.23 . . . . 77.370000000000005 107.689 -170.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' CYS . . . . . . . . . . . . . 31.0 m -92.17 135.52 33.92 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.105 -0.997 . . . . 57.020000000000003 112.276 -175.81 -50.022 -87.821 -88.348 96.996 2.095 104.276 -162.799 -45.27 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -145.32 156.74 43.99 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.874 0.694 . . . . 76.980000000000004 112.874 -172.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -137.03 152.99 74.92 Favored Pre-proline 0 C--O 1.236 0.373 0 N-CA-C 105.723 -1.955 . . . . 73.730000000000004 105.723 166.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -81.12 -15.66 31.57 Favored 'Cis proline' 0 C--N 1.32 -0.941 0 O-C-N 122.86 0.926 . . . . 72.420000000000002 112.984 -5.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.49 169.42 20.96 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 117.446 -1.701 . . . . 68.780000000000001 113.533 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.36 161.13 31.02 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 105.944 -1.873 . . . . 73.340000000000003 105.944 175.705 -66.951 -47.839 -85.575 110.031 2.051 95.413 -84.415 -45.814 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -110.69 -176.45 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.989 0 C-N-CA 119.771 -0.772 . . . . 77.5 111.207 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 130.94 46.79 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 107.714 -1.217 . . . . 80.469999999999999 107.714 -170.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.24 -15.8 53.99 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.044 -1.622 . . . . 73.590000000000003 109.044 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -108.4 152.62 24.43 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 120.536 -0.466 . . . . 70.219999999999999 111.861 -175.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -115.17 132.05 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.519 -2.03 . . . . 99.420000000000002 105.519 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -81.62 117.6 22.11 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 118.7 -1.2 . . . . 78.0 109.044 177.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.0 -21.79 16.06 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.708 -0.224 . . . . 61.729999999999997 111.373 -177.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.39 -139.5 4.13 Favored Glycine 0 CA--C 1.487 -1.659 0 C-N-CA 116.508 -2.758 . . . . 59.770000000000003 109.532 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 83.7 m -144.65 146.65 32.36 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.083 0.468 . . . . 66.180000000000007 109.855 -171.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' E' ' 19' ' ' CYS . 11.1 m -111.24 153.11 26.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.752 -0.832 . . . . 60.469999999999999 108.752 172.582 -45.27 -162.799 -88.348 104.276 2.095 96.996 -87.821 -50.022 2 2 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 59.2 mt -128.1 117.08 44.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 O-C-N 123.482 0.489 . . . . 80.790000000000006 110.079 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -172.15 159.46 4.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.611 0.72 . . . . 70.689999999999998 110.001 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 46.88 40.08 8.5 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.661 -1.609 . . . . 91.219999999999999 114.504 -171.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.75 10.37 86.28 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 116.292 1.277 . . . . 72.769999999999996 116.292 176.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.74 170.21 16.53 Favored 'General case' 0 C--O 1.205 -1.282 0 C-N-CA 116.979 -1.888 . . . . 75.319999999999993 113.238 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.27 147.63 22.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 123.609 0.763 . . . . 67.200000000000003 111.926 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -133.72 159.74 39.64 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.175 . . . . 65.780000000000001 107.826 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.31 36.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.824 -0.806 . . . . 65.180000000000007 108.824 173.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.12 113.73 26.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 110.217 -0.29 . . . . 57.759999999999998 110.217 172.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -116.34 122.26 44.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 118.616 -1.234 . . . . 63.399999999999999 114.158 -166.791 -45.814 -84.415 -85.575 95.413 2.051 110.031 -47.839 -66.951 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 117.9 -1.047 . . . . 90.420000000000002 110.824 -171.169 -49.572 -83.139 107.025 118.401 2.017 120.007 -91.275 -65.764 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ALA . . . . . 0.45 ' H3 ' ' HE2' ' D' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.424 -1.727 0 N-CA-C 108.253 -1.017 . . . . 80.260000000000005 108.253 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 2' ' ' CYS . . . . . . . . . . . . . 72.2 m -114.46 138.83 50.1 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 114.725 -1.125 . . . . 90.790000000000006 109.264 -175.055 -62.077 -103.496 110.197 117.011 2.007 113.339 -77.589 -51.935 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -121.82 138.1 54.51 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 105.117 -2.179 . . . . 97.0 105.117 -170.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' CYS . . . . . . . . . . . . . 43.1 m -90.78 136.25 33.19 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 120.433 -1.417 . . . . 66.159999999999997 110.276 -177.391 -52.695 -83.15 -94.093 95.675 2.094 102.877 -161.639 -42.787 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -149.92 153.6 36.91 Favored 'General case' 0 C--O 1.198 -1.658 0 N-CA-C 114.006 1.113 . . . . 88.180000000000007 114.006 -172.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 13.9 pt -138.7 153.03 71.88 Favored Pre-proline 0 CA--C 1.505 -0.773 0 N-CA-C 107.211 -1.403 . . . . 73.359999999999999 107.211 167.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -78.43 -16.24 27.36 Favored 'Cis proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.57 -1.013 . . . . 78.540000000000006 112.701 -3.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.55 171.04 17.73 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.929 1.455 . . . . 73.900000000000006 114.929 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 91.7 m -73.52 161.41 30.4 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 106.352 -1.721 . . . . 72.260000000000005 106.352 174.571 -66.532 -44.561 -88.937 111.531 2.035 97.866 -81.215 -54.923 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -115.19 -175.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 118.271 -1.372 . . . . 79.530000000000001 111.592 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 129.3 40.74 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.697 -1.138 . . . . 82.760000000000005 108.159 -167.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.55 -17.32 53.55 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.688 -1.244 . . . . 79.299999999999997 112.031 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -106.65 150.61 26.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.915 0.358 . . . . 70.359999999999999 111.572 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.1 135.58 53.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 106.503 -1.665 . . . . 119.64 106.503 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -76.34 118.61 19.22 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 119.457 -0.897 . . . . 81.689999999999998 109.798 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.49 -22.53 15.46 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 120.345 -0.542 . . . . 63.740000000000002 110.513 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.9 -138.98 4.4 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 117.827 -2.13 . . . . 68.900000000000006 109.049 -172.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' THR . . . . . . . . . . . . . 88.5 m -143.32 146.16 33.32 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 123.764 0.332 . . . . 71.890000000000001 110.357 -168.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 19' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' D' ' 19' ' ' CYS . 6.2 m -112.88 152.35 29.39 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.127 -0.694 . . . . 69.040000000000006 109.127 172.106 -42.787 -161.639 -94.093 102.877 2.094 95.675 -83.15 -52.695 2 2 . 1 . 001 ecloud build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 10.4 pt -128.03 126.09 65.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 118.573 -1.251 . . . . 74.209999999999994 109.833 172.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -171.64 160.99 5.98 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.259 -1.015 . . . . 76.75 108.259 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 45.37 38.85 3.92 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.597 1.703 . . . . 91.650000000000006 115.597 -170.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 11.24 85.66 Favored Glycine 0 C--O 1.215 -1.058 0 N-CA-C 116.405 1.322 . . . . 66.920000000000002 116.405 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 24' ' ' ARG . . . . . 0.736 ' HG2' ' N ' ' E' ' 25' ' ' LEU . 2.0 ttm-85 -143.22 168.15 20.46 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 117.802 -1.559 . . . . 80.819999999999993 110.445 -174.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 25' ' ' LEU . . . . . 0.736 ' N ' ' HG2' ' E' ' 24' ' ' ARG . 86.0 mt -91.69 148.32 22.34 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 124.08 0.952 . . . . 70.420000000000002 112.234 171.851 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -134.18 158.87 42.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.26 -1.015 . . . . 68.349999999999994 108.26 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.45 133.25 37.48 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.011 -1.477 . . . . 64.689999999999998 107.011 173.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.77 112.61 24.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.234 -1.395 . . . . 63.840000000000003 107.234 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' CYS . . . . . . . . . . . . . 58.7 m -113.43 121.26 43.76 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 114.52 1.304 . . . . 66.219999999999999 114.52 -168.44 -54.923 -81.215 -88.937 97.866 2.035 111.531 -44.561 -66.532 1 1 . 1 . 001 ecloud build full ' E' E ' 30' ' ' CYS . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 117.828 -1.082 . . . . 82.180000000000007 110.911 -170.621 -51.935 -77.589 110.197 113.339 2.007 117.011 -103.496 -62.077 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . 0.694 ' HB1' ' HE2' ' B' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 105.645 -1.984 . . . . 76.719999999999999 105.645 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 93.1 m -109.56 137.69 47.02 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 117.575 -1.65 . . . . 89.140000000000001 106.836 -179.398 -65.017 -102.783 115.509 108.965 2.02 108.318 -84.778 -48.868 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -120.56 139.04 53.51 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.787 -1.19 . . . . 79.5 107.787 -169.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.2 m -93.27 135.01 34.89 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.923 -1.11 . . . . 59.049999999999997 110.7 -175.424 -57.002 -83.984 -94.464 100.711 2.073 106.171 -163.703 -38.958 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -148.45 155.48 41.25 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.91 1.078 . . . . 82.549999999999997 113.91 -172.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.3 pt -139.81 153.11 69.56 Favored Pre-proline 0 N--CA 1.474 0.757 0 N-CA-C 106.767 -1.568 . . . . 71.200000000000003 106.767 167.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -80.39 -15.18 31.85 Favored 'Cis proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.476 -1.468 . . . . 75.849999999999994 113.427 -3.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.33 171.74 16.5 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 117.977 -1.489 . . . . 71.060000000000002 113.228 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.72 160.92 31.78 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.224 -1.399 . . . . 69.629999999999995 107.224 176.745 -65.322 -50.366 -83.177 109.484 2.048 109.286 -80.225 -59.695 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.34 -175.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 118.262 -1.375 . . . . 80.549999999999997 111.378 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 131.78 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.108 -1.071 . . . . 83.040000000000006 108.108 -166.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.53 -18.06 48.79 Favored Glycine 0 CA--C 1.503 -0.669 0 C-N-CA 119.436 -1.364 . . . . 75.670000000000002 110.754 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -104.34 151.53 23.35 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.741 0.645 . . . . 67.299999999999997 112.741 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttp85 -114.06 132.52 55.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.311 -1.366 . . . . 108.72 107.311 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -77.51 117.84 19.35 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 118.279 -1.368 . . . . 79.060000000000002 109.068 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.07 -22.27 15.28 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.051 0.453 . . . . 58.259999999999998 111.575 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.93 -137.8 3.87 Favored Glycine 0 CA--C 1.494 -1.257 0 C-N-CA 117.055 -2.498 . . . . 60.07 109.587 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.6 m -143.16 146.45 33.72 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-O 122.032 0.92 . . . . 62.700000000000003 112.381 -171.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.52 151.57 29.82 Favored 'General case' 0 C--O 1.26 1.653 0 O-C-N 121.6 -0.688 . . . . 62.829999999999998 110.255 171.454 -38.958 -163.703 -94.464 106.171 2.073 100.711 -83.984 -57.002 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 20' ' ' ILE . 35.6 pt -128.13 122.12 57.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-O 121.795 0.807 . . . . 75.790000000000006 111.802 172.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -171.02 163.65 7.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 70.969999999999999 109.245 173.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 49.99 36.83 12.61 Favored 'General case' 0 C--O 1.252 1.224 0 C-N-CA 124.028 0.931 . . . . 92.120000000000005 111.367 -174.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.52 9.17 84.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 118.475 2.15 . . . . 66.849999999999994 118.475 175.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -144.86 171.15 14.83 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 114.61 1.337 . . . . 67.109999999999999 114.61 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 mt -91.05 147.81 22.82 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.807 0.443 . . . . 68.739999999999995 111.317 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -134.01 159.57 40.37 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.824 -1.176 . . . . 64.540000000000006 107.824 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.66 134.6 37.12 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.229 -1.026 . . . . 57.759999999999998 108.229 172.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.97 115.45 28.0 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.77 -1.196 . . . . 59.07 107.77 173.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -114.59 121.57 43.84 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 118.972 -1.091 . . . . 62.640000000000001 113.419 -168.928 -59.695 -80.225 -83.177 109.286 2.048 109.484 -50.366 -65.322 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.453 1.101 . . . . 74.969999999999999 110.695 -171.215 -48.868 -84.778 115.509 108.318 2.02 108.965 -102.783 -65.017 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.926 0 CA-C-O 119.302 -0.38 . . . . 70.909999999999997 110.836 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.65 136.49 52.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 106.956 -1.498 . . . . 87.189999999999998 106.956 -177.686 -62.536 -98.756 114.895 104.966 2.025 111.477 -89.12 -51.395 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' TYR . . . . . 0.694 ' HE2' ' HB1' ' A' ' 1' ' ' ALA . 89.7 t80 -124.29 137.75 54.46 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.256 -1.387 . . . . 83.5 107.256 -168.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 57.0 m -89.64 138.22 31.65 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 120.935 -1.103 . . . . 58.049999999999997 112.48 -175.597 -54.136 -88.123 -89.085 98.784 2.055 106.494 -163.466 -42.491 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ARG . . . . . 0.407 ' CZ ' HD11 ' B' ' 10' ' ' ILE . 30.7 mtt-85 -147.57 156.21 42.59 Favored 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 114.317 1.228 . . . . 79.989999999999995 114.317 -173.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt -139.15 153.72 71.6 Favored Pre-proline 0 CA--C 1.52 -0.21 0 N-CA-C 105.924 -1.88 . . . . 70.209999999999994 105.924 166.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -82.21 -13.87 36.46 Favored 'Cis proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.899 -1.292 . . . . 75.400000000000006 115.115 -5.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.38 170.16 17.94 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.025 -1.07 . . . . 69.260000000000005 111.706 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.2 m -73.6 162.64 29.0 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 105.365 -2.087 . . . . 67.780000000000001 105.365 175.578 -60.752 -55.356 -79.623 104.732 2.067 103.252 -82.659 -53.925 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ILE . . . . . 0.411 ' H ' HG12 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -111.47 -171.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 117.574 -1.651 . . . . 78.989999999999995 111.592 178.458 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 130.0 43.86 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.941 -1.027 . . . . 84.189999999999998 109.883 -168.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.79 -17.81 53.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 119.408 -1.377 . . . . 73.040000000000006 111.131 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.17 150.27 26.79 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 109.447 -0.575 . . . . 68.489999999999995 109.447 -174.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -117.78 139.6 50.84 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.338 -0.616 . . . . 95.170000000000002 109.338 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.45 117.54 19.75 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.848 -0.741 . . . . 80.010000000000005 110.564 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.63 -22.78 16.29 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 109.217 -0.661 . . . . 58.189999999999998 109.217 -176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.62 -139.87 4.04 Favored Glycine 0 CA--C 1.491 -1.408 0 C-N-CA 117.234 -2.412 . . . . 62.420000000000002 110.33 -172.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.8 m -143.78 146.07 32.84 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 124.68 0.871 . . . . 64.219999999999999 110.328 -171.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 m -111.71 155.47 23.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.793 -0.447 . . . . 60.939999999999998 109.793 172.915 -42.491 -163.466 -89.085 106.494 2.055 98.784 -88.123 -54.136 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.9 mt -131.29 116.84 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 110.073 -0.343 . . . . 78.739999999999995 110.073 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -171.98 160.65 5.46 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.39 0.614 . . . . 69.390000000000001 110.23 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 44.65 39.85 3.67 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 113.65 -1.614 . . . . 88.209999999999994 114.966 -168.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.59 10.32 86.31 Favored Glycine 0 C--O 1.212 -1.256 0 N-CA-C 118.329 2.092 . . . . 69.920000000000002 118.329 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -144.2 172.84 12.36 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 118.946 1.373 . . . . 69.939999999999998 111.324 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -92.14 149.89 21.23 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.353 1.061 . . . . 66.140000000000001 111.793 174.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -135.51 160.38 38.65 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.426 -1.694 . . . . 68.390000000000001 106.426 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.28 135.62 36.81 Favored 'General case' 0 C--O 1.206 -1.235 0 N-CA-C 108.468 -0.938 . . . . 59.399999999999999 108.468 171.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.87 111.86 23.56 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 107.617 -1.253 . . . . 61.939999999999998 107.617 171.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 56.5 m -114.47 119.99 38.74 Favored 'General case' 0 CA--C 1.482 -1.655 0 C-N-CA 120.106 -0.638 . . . . 61.020000000000003 112.639 -169.208 -53.925 -82.659 -79.623 103.252 2.067 104.732 -55.356 -60.752 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.468 0.45 0 O-C-N 124.314 1.009 . . . . 78.689999999999998 109.513 -171.048 -51.395 -89.12 114.895 111.477 2.025 104.966 -98.756 -62.536 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 106.04 -1.837 . . . . 73.430000000000007 106.04 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 97.9 m -115.2 137.56 51.89 Favored 'General case' 0 CA--C 1.487 -1.47 0 CA-C-O 122.027 0.917 . . . . 96.730000000000004 110.221 -175.028 -65.764 -91.275 107.025 120.007 2.017 118.401 -83.139 -49.572 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.45 ' HE2' ' H3 ' ' E' ' 1' ' ' ALA . 83.6 t80 -122.33 137.3 54.9 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 114.495 -1.23 . . . . 77.370000000000005 107.689 -170.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' CYS . . . . . . . . . . . . . 31.0 m -92.17 135.52 33.92 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.105 -0.997 . . . . 57.020000000000003 112.276 -175.81 -50.022 -87.821 -88.348 96.996 2.095 104.276 -162.799 -45.27 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -145.32 156.74 43.99 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 112.874 0.694 . . . . 76.980000000000004 112.874 -172.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -137.03 152.99 74.92 Favored Pre-proline 0 C--O 1.236 0.373 0 N-CA-C 105.723 -1.955 . . . . 73.730000000000004 105.723 166.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -81.12 -15.66 31.57 Favored 'Cis proline' 0 C--N 1.32 -0.941 0 O-C-N 122.86 0.926 . . . . 72.420000000000002 112.984 -5.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.49 169.42 20.96 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 117.446 -1.701 . . . . 68.780000000000001 113.533 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 88.3 m -70.36 161.13 31.02 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 105.944 -1.873 . . . . 73.340000000000003 105.944 175.705 -66.951 -47.839 -85.575 110.031 2.051 95.413 -84.415 -45.814 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pp -110.69 -176.45 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.248 0.989 0 C-N-CA 119.771 -0.772 . . . . 77.5 111.207 179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.13 130.94 46.79 Favored 'General case' 0 CA--C 1.506 -0.719 0 N-CA-C 107.714 -1.217 . . . . 80.469999999999999 107.714 -170.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.24 -15.8 53.99 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 109.044 -1.622 . . . . 73.590000000000003 109.044 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -108.4 152.62 24.43 Favored 'General case' 0 CA--C 1.498 -1.031 0 C-N-CA 120.536 -0.466 . . . . 70.219999999999999 111.861 -175.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp85 -115.17 132.05 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.519 -2.03 . . . . 99.420000000000002 105.519 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -81.62 117.6 22.11 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 118.7 -1.2 . . . . 78.0 109.044 177.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.0 -21.79 16.06 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-N 116.708 -0.224 . . . . 61.729999999999997 111.373 -177.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.39 -139.5 4.13 Favored Glycine 0 CA--C 1.487 -1.659 0 C-N-CA 116.508 -2.758 . . . . 59.770000000000003 109.532 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 83.7 m -144.65 146.65 32.36 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 121.083 0.468 . . . . 66.180000000000007 109.855 -171.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' E' ' 19' ' ' CYS . 11.1 m -111.24 153.11 26.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.752 -0.832 . . . . 60.469999999999999 108.752 172.582 -45.27 -162.799 -88.348 104.276 2.095 96.996 -87.821 -50.022 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 59.2 mt -128.1 117.08 44.79 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 O-C-N 123.482 0.489 . . . . 80.790000000000006 110.079 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -172.15 159.46 4.88 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.611 0.72 . . . . 70.689999999999998 110.001 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 46.88 40.08 8.5 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.661 -1.609 . . . . 91.219999999999999 114.504 -171.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.75 10.37 86.28 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 116.292 1.277 . . . . 72.769999999999996 116.292 176.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -144.74 170.21 16.53 Favored 'General case' 0 C--O 1.205 -1.282 0 C-N-CA 116.979 -1.888 . . . . 75.319999999999993 113.238 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.27 147.63 22.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 C-N-CA 123.609 0.763 . . . . 67.200000000000003 111.926 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -133.72 159.74 39.64 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.826 -1.175 . . . . 65.780000000000001 107.826 176.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.93 134.31 36.87 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.824 -0.806 . . . . 65.180000000000007 108.824 173.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.12 113.73 26.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 110.217 -0.29 . . . . 57.759999999999998 110.217 172.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' CYS . . . . . . . . . . . . . 12.6 m -116.34 122.26 44.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 118.616 -1.234 . . . . 63.399999999999999 114.158 -166.791 -45.814 -84.415 -85.575 95.413 2.051 110.031 -47.839 -66.951 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 117.9 -1.047 . . . . 90.420000000000002 110.824 -171.169 -49.572 -83.139 107.025 118.401 2.017 120.007 -91.275 -65.764 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ALA . . . . . 0.45 ' H3 ' ' HE2' ' D' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.424 -1.727 0 N-CA-C 108.253 -1.017 . . . . 80.260000000000005 108.253 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' CYS . . . . . . . . . . . . . 72.2 m -114.46 138.83 50.1 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-N 114.725 -1.125 . . . . 90.790000000000006 109.264 -175.055 -62.077 -103.496 110.197 117.011 2.007 113.339 -77.589 -51.935 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -121.82 138.1 54.51 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 105.117 -2.179 . . . . 97.0 105.117 -170.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' CYS . . . . . . . . . . . . . 43.1 m -90.78 136.25 33.19 Favored 'General case' 0 C--O 1.254 1.308 0 O-C-N 120.433 -1.417 . . . . 66.159999999999997 110.276 -177.391 -52.695 -83.15 -94.093 95.675 2.094 102.877 -161.639 -42.787 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 29.3 mtt-85 -149.92 153.6 36.91 Favored 'General case' 0 C--O 1.198 -1.658 0 N-CA-C 114.006 1.113 . . . . 88.180000000000007 114.006 -172.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 13.9 pt -138.7 153.03 71.88 Favored Pre-proline 0 CA--C 1.505 -0.773 0 N-CA-C 107.211 -1.403 . . . . 73.359999999999999 107.211 167.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -78.43 -16.24 27.36 Favored 'Cis proline' 0 CA--C 1.541 0.874 0 C-N-CA 124.57 -1.013 . . . . 78.540000000000006 112.701 -3.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.55 171.04 17.73 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.929 1.455 . . . . 73.900000000000006 114.929 -175.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 91.7 m -73.52 161.41 30.4 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 106.352 -1.721 . . . . 72.260000000000005 106.352 174.571 -66.532 -44.561 -88.937 111.531 2.035 97.866 -81.215 -54.923 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pt -115.19 -175.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 118.271 -1.372 . . . . 79.530000000000001 111.592 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.89 129.3 40.74 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.697 -1.138 . . . . 82.760000000000005 108.159 -167.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.55 -17.32 53.55 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 119.688 -1.244 . . . . 79.299999999999997 112.031 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -106.65 150.61 26.05 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.915 0.358 . . . . 70.359999999999999 111.572 -174.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -117.1 135.58 53.64 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 106.503 -1.665 . . . . 119.64 106.503 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -76.34 118.61 19.22 Favored 'General case' 0 C--O 1.201 -1.462 0 C-N-CA 119.457 -0.897 . . . . 81.689999999999998 109.798 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.49 -22.53 15.46 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 120.345 -0.542 . . . . 63.740000000000002 110.513 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.9 -138.98 4.4 Favored Glycine 0 CA--C 1.499 -0.965 0 C-N-CA 117.827 -2.13 . . . . 68.900000000000006 109.049 -172.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' THR . . . . . . . . . . . . . 88.5 m -143.32 146.16 33.32 Favored 'General case' 0 C--O 1.219 -0.515 0 O-C-N 123.764 0.332 . . . . 71.890000000000001 110.357 -168.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' D' ' 19' ' ' CYS . 6.2 m -112.88 152.35 29.39 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.127 -0.694 . . . . 69.040000000000006 109.127 172.106 -42.787 -161.639 -94.093 102.877 2.094 95.675 -83.15 -52.695 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 10.4 pt -128.03 126.09 65.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 118.573 -1.251 . . . . 74.209999999999994 109.833 172.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -171.64 160.99 5.98 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.259 -1.015 . . . . 76.75 108.259 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 45.37 38.85 3.92 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 115.597 1.703 . . . . 91.650000000000006 115.597 -170.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.53 11.24 85.66 Favored Glycine 0 C--O 1.215 -1.058 0 N-CA-C 116.405 1.322 . . . . 66.920000000000002 116.405 176.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' ARG . . . . . 0.736 ' HG2' ' N ' ' E' ' 25' ' ' LEU . 2.0 ttm-85 -143.22 168.15 20.46 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 117.802 -1.559 . . . . 80.819999999999993 110.445 -174.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' LEU . . . . . 0.736 ' N ' ' HG2' ' E' ' 24' ' ' ARG . 86.0 mt -91.69 148.32 22.34 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 124.08 0.952 . . . . 70.420000000000002 112.234 171.851 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -134.18 158.87 42.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.26 -1.015 . . . . 68.349999999999994 108.26 176.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.45 133.25 37.48 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.011 -1.477 . . . . 64.689999999999998 107.011 173.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.77 112.61 24.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.234 -1.395 . . . . 63.840000000000003 107.234 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' CYS . . . . . . . . . . . . . 58.7 m -113.43 121.26 43.76 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 114.52 1.304 . . . . 66.219999999999999 114.52 -168.44 -54.923 -81.215 -88.937 97.866 2.035 111.531 -44.561 -66.532 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 30' ' ' CYS . . . . . . . . . . . . . 37.5 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 117.828 -1.082 . . . . 82.180000000000007 110.911 -170.621 -51.935 -77.589 110.197 113.339 2.007 117.011 -103.496 -62.077 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.694 ' HB1' ' HE2' ' B' ' 3' ' ' TYR . . . . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 105.645 -1.984 . . . . 76.719999999999999 105.645 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 93.1 m -109.56 137.69 47.02 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 117.575 -1.65 . . . . 89.140000000000001 106.836 -179.398 -65.017 -102.783 115.509 108.965 2.02 108.318 -84.778 -48.868 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -120.56 139.04 53.51 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 107.787 -1.19 . . . . 79.5 107.787 -169.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.2 m -93.27 135.01 34.89 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 120.923 -1.11 . . . . 59.049999999999997 110.7 -175.424 -57.002 -83.984 -94.464 100.711 2.073 106.171 -163.703 -38.958 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -148.45 155.48 41.25 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 113.91 1.078 . . . . 82.549999999999997 113.91 -172.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.3 pt -139.81 153.11 69.56 Favored Pre-proline 0 N--CA 1.474 0.757 0 N-CA-C 106.767 -1.568 . . . . 71.200000000000003 106.767 167.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -80.39 -15.18 31.85 Favored 'Cis proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.476 -1.468 . . . . 75.849999999999994 113.427 -3.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.33 171.74 16.5 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 117.977 -1.489 . . . . 71.060000000000002 113.228 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 97.4 m -71.72 160.92 31.78 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.224 -1.399 . . . . 69.629999999999995 107.224 176.745 -65.322 -50.366 -83.177 109.484 2.048 109.286 -80.225 -59.695 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pp -111.34 -175.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 118.262 -1.375 . . . . 80.549999999999997 111.378 179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.58 131.78 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.108 -1.071 . . . . 83.040000000000006 108.108 -166.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.53 -18.06 48.79 Favored Glycine 0 CA--C 1.503 -0.669 0 C-N-CA 119.436 -1.364 . . . . 75.670000000000002 110.754 -179.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -104.34 151.53 23.35 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.741 0.645 . . . . 67.299999999999997 112.741 -177.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttp85 -114.06 132.52 55.99 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.311 -1.366 . . . . 108.72 107.311 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 -77.51 117.84 19.35 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 118.279 -1.368 . . . . 79.060000000000002 109.068 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.07 -22.27 15.28 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.051 0.453 . . . . 58.259999999999998 111.575 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.93 -137.8 3.87 Favored Glycine 0 CA--C 1.494 -1.257 0 C-N-CA 117.055 -2.498 . . . . 60.07 109.587 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.6 m -143.16 146.45 33.72 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-O 122.032 0.92 . . . . 62.700000000000003 112.381 -171.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -112.52 151.57 29.82 Favored 'General case' 0 C--O 1.26 1.653 0 O-C-N 121.6 -0.688 . . . . 62.829999999999998 110.255 171.454 -38.958 -163.703 -94.464 106.171 2.073 100.711 -83.984 -57.002 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 20' ' ' ILE . 35.6 pt -128.13 122.12 57.47 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-O 121.795 0.807 . . . . 75.790000000000006 111.802 172.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -171.02 163.65 7.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.098 -0.956 . . . . 70.969999999999999 109.245 173.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 49.99 36.83 12.61 Favored 'General case' 0 C--O 1.252 1.224 0 C-N-CA 124.028 0.931 . . . . 92.120000000000005 111.367 -174.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.52 9.17 84.6 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 118.475 2.15 . . . . 66.849999999999994 118.475 175.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -144.86 171.15 14.83 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 114.61 1.337 . . . . 67.109999999999999 114.61 -178.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 mt -91.05 147.81 22.82 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 122.807 0.443 . . . . 68.739999999999995 111.317 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -134.01 159.57 40.37 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.824 -1.176 . . . . 64.540000000000006 107.824 175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.66 134.6 37.12 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.229 -1.026 . . . . 57.759999999999998 108.229 172.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.97 115.45 28.0 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 107.77 -1.196 . . . . 59.07 107.77 173.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.1 m -114.59 121.57 43.84 Favored 'General case' 0 C--O 1.217 -0.62 0 C-N-CA 118.972 -1.091 . . . . 62.640000000000001 113.419 -168.928 -59.695 -80.225 -83.177 109.286 2.048 109.484 -50.366 -65.322 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.453 1.101 . . . . 74.969999999999999 110.695 -171.215 -48.868 -84.778 115.509 108.318 2.02 108.965 -102.783 -65.017 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.926 0 CA-C-O 119.302 -0.38 . . . . 70.909999999999997 110.836 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 70.9 m -114.65 136.49 52.99 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 106.956 -1.498 . . . . 87.189999999999998 106.956 -177.686 -62.536 -98.756 114.895 104.966 2.025 111.477 -89.12 -51.395 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.694 ' HE2' ' HB1' ' A' ' 1' ' ' ALA . 89.7 t80 -124.29 137.75 54.46 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 107.256 -1.387 . . . . 83.5 107.256 -168.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 57.0 m -89.64 138.22 31.65 Favored 'General case' 0 CA--C 1.559 1.316 0 O-C-N 120.935 -1.103 . . . . 58.049999999999997 112.48 -175.597 -54.136 -88.123 -89.085 98.784 2.055 106.494 -163.466 -42.491 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.407 ' CZ ' HD11 ' B' ' 10' ' ' ILE . 30.7 mtt-85 -147.57 156.21 42.59 Favored 'General case' 0 C--O 1.2 -1.533 0 N-CA-C 114.317 1.228 . . . . 79.989999999999995 114.317 -173.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt -139.15 153.72 71.6 Favored Pre-proline 0 CA--C 1.52 -0.21 0 N-CA-C 105.924 -1.88 . . . . 70.209999999999994 105.924 166.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -82.21 -13.87 36.46 Favored 'Cis proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.899 -1.292 . . . . 75.400000000000006 115.115 -5.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.38 170.16 17.94 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 119.025 -1.07 . . . . 69.260000000000005 111.706 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 78.2 m -73.6 162.64 29.0 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 105.365 -2.087 . . . . 67.780000000000001 105.365 175.578 -60.752 -55.356 -79.623 104.732 2.067 103.252 -82.659 -53.925 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.411 ' H ' HG12 ' B' ' 10' ' ' ILE . 0.5 OUTLIER -111.47 -171.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 117.574 -1.651 . . . . 78.989999999999995 111.592 178.458 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 130.0 43.86 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.941 -1.027 . . . . 84.189999999999998 109.883 -168.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.79 -17.81 53.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 119.408 -1.377 . . . . 73.040000000000006 111.131 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -107.17 150.27 26.79 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 109.447 -0.575 . . . . 68.489999999999995 109.447 -174.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -117.78 139.6 50.84 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.338 -0.616 . . . . 95.170000000000002 109.338 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -78.45 117.54 19.75 Favored 'General case' 0 C--O 1.207 -1.138 0 C-N-CA 119.848 -0.741 . . . . 80.010000000000005 110.564 -179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.63 -22.78 16.29 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 109.217 -0.661 . . . . 58.189999999999998 109.217 -176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.62 -139.87 4.04 Favored Glycine 0 CA--C 1.491 -1.408 0 C-N-CA 117.234 -2.412 . . . . 62.420000000000002 110.33 -172.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.8 m -143.78 146.07 32.84 Favored 'General case' 0 C--O 1.252 1.225 0 O-C-N 124.68 0.871 . . . . 64.219999999999999 110.328 -171.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.7 m -111.71 155.47 23.41 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.793 -0.447 . . . . 60.939999999999998 109.793 172.915 -42.491 -163.466 -89.085 106.494 2.055 98.784 -88.123 -54.136 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 73.9 mt -131.29 116.84 34.13 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.705 0 N-CA-C 110.073 -0.343 . . . . 78.739999999999995 110.073 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -171.98 160.65 5.46 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.39 0.614 . . . . 69.390000000000001 110.23 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 44.65 39.85 3.67 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 113.65 -1.614 . . . . 88.209999999999994 114.966 -168.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.59 10.32 86.31 Favored Glycine 0 C--O 1.212 -1.256 0 N-CA-C 118.329 2.092 . . . . 69.920000000000002 118.329 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -144.2 172.84 12.36 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 118.946 1.373 . . . . 69.939999999999998 111.324 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 67.3 mt -92.14 149.89 21.23 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 124.353 1.061 . . . . 66.140000000000001 111.793 174.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -135.51 160.38 38.65 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 106.426 -1.694 . . . . 68.390000000000001 106.426 176.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.28 135.62 36.81 Favored 'General case' 0 C--O 1.206 -1.235 0 N-CA-C 108.468 -0.938 . . . . 59.399999999999999 108.468 171.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.87 111.86 23.56 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 107.617 -1.253 . . . . 61.939999999999998 107.617 171.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 56.5 m -114.47 119.99 38.74 Favored 'General case' 0 CA--C 1.482 -1.655 0 C-N-CA 120.106 -0.638 . . . . 61.020000000000003 112.639 -169.208 -53.925 -82.659 -79.623 103.252 2.067 104.732 -55.356 -60.752 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.468 0.45 0 O-C-N 124.314 1.009 . . . . 78.689999999999998 109.513 -171.048 -51.395 -89.12 114.895 111.477 2.025 104.966 -98.756 -62.536 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_