data_1amt_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 1amt _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 1 C--O 1.338 5.733 . . . . . . . . 6.05 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.143 -8.386 0 CA-C-O 113.064 -3.35 . . . . 5.09 109.078 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.02 -32.93 92.66 Favored 'Trans proline' 2 N--CA 1.562 5.528 0 CA-C-N 123.684 2.352 . . . . 6.02 112.182 -175.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . 0.298 . . . . . . . 1 C--O 1.406 9.335 2 CA-C-O 109.339 -5.124 . . . . 5.67 100.139 -176.468 . . . . . . . . 3 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.21 75.66 Favored 'General case' 1 C--N 1.174 -7.046 1 CA-C-N 127.64 4.745 . . . . 5.7 110.696 -178.838 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 2 C--O 1.37 7.4 1 CA-C-O 111.306 -4.188 . . . . 4.45 105.129 -178.582 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.69 69.87 Favored 'General case' 0 C--O 1.29 3.233 1 CA-C-N 127.052 4.478 . . . . 5.4 108.213 -178.114 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.82 -44.74 80.37 Favored 'General case' 0 C--O 1.305 3.974 0 CA-C-O 115.325 -2.274 . . . . 14.1 111.384 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.407 9.355 2 C-N-CA 132.357 4.263 . . . . 5.34 101.879 -178.658 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.18 -41.37 81.29 Favored 'Isoleucine or valine' 0 C--O 1.303 3.88 0 CA-C-N 124.833 3.47 . . . . 7.66 111.756 -172.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.37 1 O-C-N 113.504 -5.748 . . . . 6.61 104.153 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.07 -27.01 57.02 Favored Glycine 1 C--O 1.312 5.027 0 CA-C-N 124.409 3.277 . . . . 7.72 109.447 -176.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.23 -36.83 22.45 Favored 'General case' 3 C--O 1.329 5.24 1 O-C-N 114.929 -4.865 . . . . 9.09 104.057 -178.582 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.45 -2.902 1 CA-C-N 127.592 4.724 . . . . 6.43 116.496 -167.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -72.6 -30.37 12.09 Favored 'Trans proline' 0 C--O 1.276 2.39 1 CA-C-O 109.777 -4.343 . . . . 8.58 105.123 -175.695 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.289 19.0 t -64.85 -60.5 2.62 Favored 'Isoleucine or valine' 2 C--N 1.213 -5.359 0 CA-C-N 124.864 3.484 . . . . 14.62 103.512 -179.217 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.404 -2.728 1 CA-C-N 126.293 4.133 . . . . 9.63 107.947 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.002 0 C-N-CA 127.328 2.251 . . . . 3.71 114.144 -174.496 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -4.21 38.53 Favored 'General case' 0 C--O 1.176 -2.799 0 CA-C-O 124.797 2.237 . . . . 12.85 116.639 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -93.7 -7.19 44.42 Favored 'General case' 1 C--O 1.323 4.921 0 O-C-N 116.883 -3.635 . . . . 6.16 105.321 177.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.584 0 O-C-N 127.142 2.776 . . . . 6.43 104.921 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -67.13 -35.85 23.69 Favored 'Trans proline' 1 C--O 1.311 4.162 0 CA-C-N 123.911 2.432 . . . . 10.05 108.605 -173.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.468 1 CA-C-N 126.295 4.134 . . . . 8.55 104.683 -178.756 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.26 -46.39 89.05 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 128.876 3.86 . . . . 6.03 107.325 -175.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.526 3.329 0 O-C-N 118.886 -2.383 . . . . 11.06 110.166 -178.56 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.69 85.99 Favored 'General case' 1 C--O 1.342 5.964 0 CA-C-O 113.896 -2.954 . . . . 8.67 108.636 179.292 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.46 -48.1 71.0 Favored 'General case' 1 C--N 1.185 -6.559 3 CA-C-N 130.474 6.034 . . . . 20.19 103.139 -172.495 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.369 7.343 0 O-C-N 128.26 3.475 . . . . 6.18 107.639 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.97 -48.98 85.43 Favored 'Isoleucine or valine' 1 C--O 1.315 4.518 0 O-C-N 116.636 -3.79 . . . . 15.0 105.992 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -1.867 1 O-C-N 114.468 -5.145 . . . . 8.83 107.101 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.65 34.75 Favored Glycine 3 C--O 1.363 8.203 0 O-C-N 127.722 3.138 . . . . 7.29 106.312 -173.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt -75.18 -46.68 32.54 Favored 'General case' 0 N--CA 1.423 -1.795 3 CA-C-N 131.519 7.66 . . . . 11.12 109.993 -179.681 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.311 4.339 1 CA-C-O 107.303 -6.094 . . . . 7.69 114.433 -174.398 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . 0.418 10.7 Cg_endo -69.27 -28.98 26.95 Favored 'Trans proline' 2 C--N 1.22 -6.204 1 O-C-N 130.783 5.097 . . . . 13.46 106.964 -177.819 . . . . . . . . 4 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.58 -41.82 93.99 Favored 'Isoleucine or valine' 1 C--O 1.362 7.003 0 O-C-N 117.53 -3.231 . . . . 15.57 107.337 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' AIB . . . . . . . . . . . . 0.389 . . . . . . . 2 C--O 1.371 7.477 3 O-C-N 109.066 -8.521 . . . . 8.56 104.787 178.61 . . . . . . . . 3 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' AIB . . . . . . . . . . . . 0.263 . . . . . . . 1 N--CA 1.544 4.237 0 CA-C-O 118.098 -0.954 . . . . 10.83 109.7 -176.204 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.44 -24.3 53.94 Favored 'General case' 1 C--O 1.396 8.781 0 CA-C-N 121.653 2.024 . . . . 13.57 105.823 -175.991 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -74.74 -49.58 20.55 Favored 'General case' 1 C--O 1.144 -4.463 2 O-C-N 114.938 -4.851 . . . . 7.55 110.117 177.225 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.279 2.619 . . . . . . . . 7.21 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.775 0 O-C-N 119.343 -2.098 . . . . 6.28 109.24 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -74.72 -30.14 8.01 Favored 'Trans proline' 1 C--O 1.358 6.476 1 CA-C-O 108.548 -4.855 . . . . 6.79 106.732 -174.188 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.198 -5.983 1 CA-C-N 128.278 5.035 . . . . 6.77 102.573 178.008 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.83 95.06 Favored 'General case' 1 C--N 1.24 -4.183 0 O-C-N 127.57 3.044 . . . . 4.56 111.393 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' AIB . . . . . . . . . . . . 0.294 . . . . . . . 1 C--O 1.338 5.746 2 CA-C-O 110.251 -4.69 . . . . 4.48 102.764 -177.508 . . . . . . . . 3 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 1 C--N 1.194 -6.165 0 CA-C-N 122.794 2.543 . . . . 8.32 110.023 179.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -67.95 -43.54 78.82 Favored 'General case' 1 C--O 1.307 4.095 0 N-CA-C 105.138 -2.171 . . . . 11.63 105.138 -174.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.566 5.359 0 CA-C-O 113.595 -3.098 . . . . 5.36 106.918 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.01 -61.46 1.67 Allowed 'Isoleucine or valine' 1 C--N 1.243 -4.031 0 O-C-N 126.954 2.659 . . . . 7.57 107.792 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.137 -4.852 0 CA-C-O 125.739 2.685 . . . . 7.89 113.389 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.08 79.52 Favored Glycine 1 C--O 1.303 4.461 1 CA-C-O 104.776 -8.791 . . . . 7.43 107.581 -172.666 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -1.69 58.18 Favored 'General case' 2 C--N 1.199 -5.959 1 O-C-N 131.537 4.904 . . . . 14.89 108.922 -176.754 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' AIB . . . . . 0.418 ' N ' ' CD ' ' C' ' 14' ' ' PRO . . . . . . . . 0 CA--C 1.601 2.936 0 CA-C-O 112.002 -3.856 . . . . 7.44 104.901 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' C' ' 13' ' ' AIB . 38.2 Cg_exo -68.55 -25.63 34.72 Favored 'Trans proline' 3 C--O 1.347 5.948 0 O-C-N 128.196 3.735 . . . . 10.01 109.244 -178.683 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.33 -53.1 50.83 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.299 2 O-C-N 113.812 -5.555 . . . . 7.2 107.006 173.102 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' AIB . . . . . . . . . . . . 0.298 . . . . . . . 1 C--O 1.322 4.879 1 O-C-N 115.26 -4.65 . . . . 6.35 107.401 178.028 . . . . . . . . 3 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' AIB . . . . . . . . . . . . 0.305 . . . . . . . 1 C--O 1.329 5.261 0 O-C-N 116.329 -3.982 . . . . 9.79 104.948 -172.882 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -78.9 -29.72 44.48 Favored 'General case' 1 C--O 1.391 8.503 2 O-C-N 112.479 -6.388 . . . . 17.61 103.178 -174.648 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -72.47 -39.48 67.68 Favored 'General case' 0 C--N 1.27 -2.855 1 CA-C-N 126.424 4.193 . . . . 8.49 115.527 178.14 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' CCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' MOH . . . . . 0.754 ' O ' ' C ' ' B' ' 28' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' MOH . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MOH . . . . . 0.403 ' O ' ' C ' ' C' ' 25' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' MOH . . . . . 0.754 ' C ' ' O ' ' B' ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 1 C--O 1.338 5.733 . . . . . . . . 6.05 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.143 -8.386 0 CA-C-O 113.064 -3.35 . . . . 5.09 109.078 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.02 -32.93 92.66 Favored 'Trans proline' 2 N--CA 1.562 5.528 0 CA-C-N 123.684 2.352 . . . . 6.02 112.182 -175.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . 0.298 . . . . . . . 1 C--O 1.406 9.335 2 CA-C-O 109.339 -5.124 . . . . 5.67 100.139 -176.468 . . . . . . . . 3 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.21 75.66 Favored 'General case' 1 C--N 1.174 -7.046 1 CA-C-N 127.64 4.745 . . . . 5.7 110.696 -178.838 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 2 C--O 1.37 7.4 1 CA-C-O 111.306 -4.188 . . . . 4.45 105.129 -178.582 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.69 69.87 Favored 'General case' 0 C--O 1.29 3.233 1 CA-C-N 127.052 4.478 . . . . 5.4 108.213 -178.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.82 -44.74 80.37 Favored 'General case' 0 C--O 1.305 3.974 0 CA-C-O 115.325 -2.274 . . . . 14.1 111.384 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.407 9.355 2 C-N-CA 132.357 4.263 . . . . 5.34 101.879 -178.658 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.18 -41.37 81.29 Favored 'Isoleucine or valine' 0 C--O 1.303 3.88 0 CA-C-N 124.833 3.47 . . . . 7.66 111.756 -172.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.37 1 O-C-N 113.504 -5.748 . . . . 6.61 104.153 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.07 -27.01 57.02 Favored Glycine 1 C--O 1.312 5.027 0 CA-C-N 124.409 3.277 . . . . 7.72 109.447 -176.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.23 -36.83 22.45 Favored 'General case' 3 C--O 1.329 5.24 1 O-C-N 114.929 -4.865 . . . . 9.09 104.057 -178.582 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.45 -2.902 1 CA-C-N 127.592 4.724 . . . . 6.43 116.496 -167.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -72.6 -30.37 12.09 Favored 'Trans proline' 0 C--O 1.276 2.39 1 CA-C-O 109.777 -4.343 . . . . 8.58 105.123 -175.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.289 19.0 t -64.85 -60.5 2.62 Favored 'Isoleucine or valine' 2 C--N 1.213 -5.359 0 CA-C-N 124.864 3.484 . . . . 14.62 103.512 -179.217 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.404 -2.728 1 CA-C-N 126.293 4.133 . . . . 9.63 107.947 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.002 0 C-N-CA 127.328 2.251 . . . . 3.71 114.144 -174.496 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -4.21 38.53 Favored 'General case' 0 C--O 1.176 -2.799 0 CA-C-O 124.797 2.237 . . . . 12.85 116.639 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -93.7 -7.19 44.42 Favored 'General case' 1 C--O 1.323 4.921 0 O-C-N 116.883 -3.635 . . . . 6.16 105.321 177.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' AIB . . . . . 0.666 HB13 ' HD3' ' B' ' 2' ' ' PRO . . . . . . . . 0 C--N 1.254 -3.584 0 O-C-N 127.142 2.776 . . . . 6.43 104.921 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PRO . . . . . 0.666 ' HD3' HB13 ' B' ' 1' ' ' AIB . 70.3 Cg_exo -67.13 -35.85 23.69 Favored 'Trans proline' 1 C--O 1.311 4.162 0 CA-C-N 123.911 2.432 . . . . 10.05 108.605 -173.609 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.468 1 CA-C-N 126.295 4.134 . . . . 8.55 104.683 -178.756 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . 0.47 ' HB3' ' H22' ' B' ' 22' ' ' CCN . . . -62.26 -46.39 89.05 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 128.876 3.86 . . . . 6.03 107.325 -175.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.526 3.329 0 O-C-N 118.886 -2.383 . . . . 11.06 110.166 -178.56 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.69 85.99 Favored 'General case' 1 C--O 1.342 5.964 0 CA-C-O 113.896 -2.954 . . . . 8.67 108.636 179.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.46 -48.1 71.0 Favored 'General case' 1 C--N 1.185 -6.559 3 CA-C-N 130.474 6.034 . . . . 20.19 103.139 -172.495 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.369 7.343 0 O-C-N 128.26 3.475 . . . . 6.18 107.639 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.97 -48.98 85.43 Favored 'Isoleucine or valine' 1 C--O 1.315 4.518 0 O-C-N 116.636 -3.79 . . . . 15.0 105.992 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -1.867 1 O-C-N 114.468 -5.145 . . . . 8.83 107.101 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.65 34.75 Favored Glycine 3 C--O 1.363 8.203 0 O-C-N 127.722 3.138 . . . . 7.29 106.312 -173.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt -75.18 -46.68 32.54 Favored 'General case' 0 N--CA 1.423 -1.795 3 CA-C-N 131.519 7.66 . . . . 11.12 109.993 -179.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.311 4.339 1 CA-C-O 107.303 -6.094 . . . . 7.69 114.433 -174.398 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . 0.418 10.7 Cg_endo -69.27 -28.98 26.95 Favored 'Trans proline' 2 C--N 1.22 -6.204 1 O-C-N 130.783 5.097 . . . . 13.46 106.964 -177.819 . . . . . . . . 4 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.58 -41.82 93.99 Favored 'Isoleucine or valine' 1 C--O 1.362 7.003 0 O-C-N 117.53 -3.231 . . . . 15.57 107.337 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' AIB . . . . . . . . . . . . 0.389 . . . . . . . 2 C--O 1.371 7.477 3 O-C-N 109.066 -8.521 . . . . 8.56 104.787 178.61 . . . . . . . . 3 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' AIB . . . . . . . . . . . . 0.263 . . . . . . . 1 N--CA 1.544 4.237 0 CA-C-O 118.098 -0.954 . . . . 10.83 109.7 -176.204 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.44 -24.3 53.94 Favored 'General case' 1 C--O 1.396 8.781 0 CA-C-N 121.653 2.024 . . . . 13.57 105.823 -175.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -74.74 -49.58 20.55 Favored 'General case' 1 C--O 1.144 -4.463 2 O-C-N 114.938 -4.851 . . . . 7.55 110.117 177.225 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.279 2.619 . . . . . . . . 7.21 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.775 0 O-C-N 119.343 -2.098 . . . . 6.28 109.24 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -74.72 -30.14 8.01 Favored 'Trans proline' 1 C--O 1.358 6.476 1 CA-C-O 108.548 -4.855 . . . . 6.79 106.732 -174.188 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.198 -5.983 1 CA-C-N 128.278 5.035 . . . . 6.77 102.573 178.008 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.83 95.06 Favored 'General case' 1 C--N 1.24 -4.183 0 O-C-N 127.57 3.044 . . . . 4.56 111.393 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' AIB . . . . . . . . . . . . 0.294 . . . . . . . 1 C--O 1.338 5.746 2 CA-C-O 110.251 -4.69 . . . . 4.48 102.764 -177.508 . . . . . . . . 3 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 1 C--N 1.194 -6.165 0 CA-C-N 122.794 2.543 . . . . 8.32 110.023 179.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -67.95 -43.54 78.82 Favored 'General case' 1 C--O 1.307 4.095 0 N-CA-C 105.138 -2.171 . . . . 11.63 105.138 -174.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.566 5.359 0 CA-C-O 113.595 -3.098 . . . . 5.36 106.918 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.01 -61.46 1.67 Allowed 'Isoleucine or valine' 1 C--N 1.243 -4.031 0 O-C-N 126.954 2.659 . . . . 7.57 107.792 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.137 -4.852 0 CA-C-O 125.739 2.685 . . . . 7.89 113.389 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.08 79.52 Favored Glycine 1 C--O 1.303 4.461 1 CA-C-O 104.776 -8.791 . . . . 7.43 107.581 -172.666 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -1.69 58.18 Favored 'General case' 2 C--N 1.199 -5.959 1 O-C-N 131.537 4.904 . . . . 14.89 108.922 -176.754 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' C' C ' 13' ' ' AIB . . . . . 0.418 ' N ' ' CD ' ' C' ' 14' ' ' PRO . . . . . . . . 0 CA--C 1.601 2.936 0 CA-C-O 112.002 -3.856 . . . . 7.44 104.901 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' C' ' 13' ' ' AIB . 38.2 Cg_exo -68.55 -25.63 34.72 Favored 'Trans proline' 3 C--O 1.347 5.948 0 O-C-N 128.196 3.735 . . . . 10.01 109.244 -178.683 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.33 -53.1 50.83 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.299 2 O-C-N 113.812 -5.555 . . . . 7.2 107.006 173.102 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' AIB . . . . . . . . . . . . 0.298 . . . . . . . 1 C--O 1.322 4.879 1 O-C-N 115.26 -4.65 . . . . 6.35 107.401 178.028 . . . . . . . . 3 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' AIB . . . . . . . . . . . . 0.305 . . . . . . . 1 C--O 1.329 5.261 0 O-C-N 116.329 -3.982 . . . . 9.79 104.948 -172.882 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -78.9 -29.72 44.48 Favored 'General case' 1 C--O 1.391 8.503 2 O-C-N 112.479 -6.388 . . . . 17.61 103.178 -174.648 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -72.47 -39.48 67.68 Favored 'General case' 0 C--N 1.27 -2.855 1 CA-C-N 126.424 4.193 . . . . 8.49 115.527 178.14 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 22' ' ' CCN . . . . . 0.47 ' H22' ' HB3' ' B' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 23' ' ' MOH . . . . . 0.754 ' O ' ' C ' ' B' ' 28' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 24' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 25' ' ' MOH . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MOH . . . . . 0.403 ' O ' ' C ' ' C' ' 25' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 27' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 28' ' ' MOH . . . . . 0.754 ' C ' ' O ' ' B' ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 30' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 1 C--O 1.338 5.733 . . . . . . . . 6.05 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.143 -8.386 0 CA-C-O 113.064 -3.35 . . . . 5.09 109.078 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -61.02 -32.93 92.66 Favored 'Trans proline' 2 N--CA 1.562 5.528 0 CA-C-N 123.684 2.352 . . . . 6.02 112.182 -175.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' AIB . . . . . . . . . . . . 0.298 . . . . . . . 1 C--O 1.406 9.335 2 CA-C-O 109.339 -5.124 . . . . 5.67 100.139 -176.468 . . . . . . . . 3 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.21 75.66 Favored 'General case' 1 C--N 1.174 -7.046 1 CA-C-N 127.64 4.745 . . . . 5.7 110.696 -178.838 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 2 C--O 1.37 7.4 1 CA-C-O 111.306 -4.188 . . . . 4.45 105.129 -178.582 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.69 69.87 Favored 'General case' 0 C--O 1.29 3.233 1 CA-C-N 127.052 4.478 . . . . 5.4 108.213 -178.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -66.82 -44.74 80.37 Favored 'General case' 0 C--O 1.305 3.974 0 CA-C-O 115.325 -2.274 . . . . 14.1 111.384 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.407 9.355 2 C-N-CA 132.357 4.263 . . . . 5.34 101.879 -178.658 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.4 t -69.18 -41.37 81.29 Favored 'Isoleucine or valine' 0 C--O 1.303 3.88 0 CA-C-N 124.833 3.47 . . . . 7.66 111.756 -172.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.414 3.37 1 O-C-N 113.504 -5.748 . . . . 6.61 104.153 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.07 -27.01 57.02 Favored Glycine 1 C--O 1.312 5.027 0 CA-C-N 124.409 3.277 . . . . 7.72 109.447 -176.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.23 -36.83 22.45 Favored 'General case' 3 C--O 1.329 5.24 1 O-C-N 114.929 -4.865 . . . . 9.09 104.057 -178.582 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.45 -2.902 1 CA-C-N 127.592 4.724 . . . . 6.43 116.496 -167.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -72.6 -30.37 12.09 Favored 'Trans proline' 0 C--O 1.276 2.39 1 CA-C-O 109.777 -4.343 . . . . 8.58 105.123 -175.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.289 19.0 t -64.85 -60.5 2.62 Favored 'Isoleucine or valine' 2 C--N 1.213 -5.359 0 CA-C-N 124.864 3.484 . . . . 14.62 103.512 -179.217 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.404 -2.728 1 CA-C-N 126.293 4.133 . . . . 9.63 107.947 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.002 0 C-N-CA 127.328 2.251 . . . . 3.71 114.144 -174.496 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -4.21 38.53 Favored 'General case' 0 C--O 1.176 -2.799 0 CA-C-O 124.797 2.237 . . . . 12.85 116.639 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -93.7 -7.19 44.42 Favored 'General case' 1 C--O 1.323 4.921 0 O-C-N 116.883 -3.635 . . . . 6.16 105.321 177.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 4.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' AIB . . . . . 0.666 HB13 ' HD3' ' B' ' 2' ' ' PRO . . . . . . . . 0 C--N 1.254 -3.584 0 O-C-N 127.142 2.776 . . . . 6.43 104.921 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.666 ' HD3' HB13 ' B' ' 1' ' ' AIB . 70.3 Cg_exo -67.13 -35.85 23.69 Favored 'Trans proline' 1 C--O 1.311 4.162 0 CA-C-N 123.911 2.432 . . . . 10.05 108.605 -173.609 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.233 -4.468 1 CA-C-N 126.295 4.134 . . . . 8.55 104.683 -178.756 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.47 ' HB3' ' H22' ' B' ' 22' ' ' CCN . . . -62.26 -46.39 89.05 Favored 'General case' 0 N--CA 1.517 2.899 0 O-C-N 128.876 3.86 . . . . 6.03 107.325 -175.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.526 3.329 0 O-C-N 118.886 -2.383 . . . . 11.06 110.166 -178.56 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -37.69 85.99 Favored 'General case' 1 C--O 1.342 5.964 0 CA-C-O 113.896 -2.954 . . . . 8.67 108.636 179.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -66.46 -48.1 71.0 Favored 'General case' 1 C--N 1.185 -6.559 3 CA-C-N 130.474 6.034 . . . . 20.19 103.139 -172.495 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.369 7.343 0 O-C-N 128.26 3.475 . . . . 6.18 107.639 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.97 -48.98 85.43 Favored 'Isoleucine or valine' 1 C--O 1.315 4.518 0 O-C-N 116.636 -3.79 . . . . 15.0 105.992 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -1.867 1 O-C-N 114.468 -5.145 . . . . 8.83 107.101 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.72 -29.65 34.75 Favored Glycine 3 C--O 1.363 8.203 0 O-C-N 127.722 3.138 . . . . 7.29 106.312 -173.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.7 mt -75.18 -46.68 32.54 Favored 'General case' 0 N--CA 1.423 -1.795 3 CA-C-N 131.519 7.66 . . . . 11.12 109.993 -179.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.311 4.339 1 CA-C-O 107.303 -6.094 . . . . 7.69 114.433 -174.398 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . 0.418 10.7 Cg_endo -69.27 -28.98 26.95 Favored 'Trans proline' 2 C--N 1.22 -6.204 1 O-C-N 130.783 5.097 . . . . 13.46 106.964 -177.819 . . . . . . . . 4 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.58 -41.82 93.99 Favored 'Isoleucine or valine' 1 C--O 1.362 7.003 0 O-C-N 117.53 -3.231 . . . . 15.57 107.337 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' AIB . . . . . . . . . . . . 0.389 . . . . . . . 2 C--O 1.371 7.477 3 O-C-N 109.066 -8.521 . . . . 8.56 104.787 178.61 . . . . . . . . 3 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' AIB . . . . . . . . . . . . 0.263 . . . . . . . 1 N--CA 1.544 4.237 0 CA-C-O 118.098 -0.954 . . . . 10.83 109.7 -176.204 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -76.44 -24.3 53.94 Favored 'General case' 1 C--O 1.396 8.781 0 CA-C-N 121.653 2.024 . . . . 13.57 105.823 -175.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 31.5 tp60 -74.74 -49.58 20.55 Favored 'General case' 1 C--O 1.144 -4.463 2 O-C-N 114.938 -4.851 . . . . 7.55 110.117 177.225 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.279 2.619 . . . . . . . . 7.21 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.775 0 O-C-N 119.343 -2.098 . . . . 6.28 109.24 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -74.72 -30.14 8.01 Favored 'Trans proline' 1 C--O 1.358 6.476 1 CA-C-O 108.548 -4.855 . . . . 6.79 106.732 -174.188 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--N 1.198 -5.983 1 CA-C-N 128.278 5.035 . . . . 6.77 102.573 178.008 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.83 95.06 Favored 'General case' 1 C--N 1.24 -4.183 0 O-C-N 127.57 3.044 . . . . 4.56 111.393 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' AIB . . . . . . . . . . . . 0.294 . . . . . . . 1 C--O 1.338 5.746 2 CA-C-O 110.251 -4.69 . . . . 4.48 102.764 -177.508 . . . . . . . . 3 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 1 C--N 1.194 -6.165 0 CA-C-N 122.794 2.543 . . . . 8.32 110.023 179.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -67.95 -43.54 78.82 Favored 'General case' 1 C--O 1.307 4.095 0 N-CA-C 105.138 -2.171 . . . . 11.63 105.138 -174.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.566 5.359 0 CA-C-O 113.595 -3.098 . . . . 5.36 106.918 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 86.9 t -69.01 -61.46 1.67 Allowed 'Isoleucine or valine' 1 C--N 1.243 -4.031 0 O-C-N 126.954 2.659 . . . . 7.57 107.792 -177.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' AIB . . . . . . . . . . . . . . . . . . . . 1 C--O 1.137 -4.852 0 CA-C-O 125.739 2.685 . . . . 7.89 113.389 177.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.3 -31.08 79.52 Favored Glycine 1 C--O 1.303 4.461 1 CA-C-O 104.776 -8.791 . . . . 7.43 107.581 -172.666 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -1.69 58.18 Favored 'General case' 2 C--N 1.199 -5.959 1 O-C-N 131.537 4.904 . . . . 14.89 108.922 -176.754 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' AIB . . . . . 0.418 ' N ' ' CD ' ' C' ' 14' ' ' PRO . . . . . . . . 0 CA--C 1.601 2.936 0 CA-C-O 112.002 -3.856 . . . . 7.44 104.901 -178.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' C' ' 13' ' ' AIB . 38.2 Cg_exo -68.55 -25.63 34.72 Favored 'Trans proline' 3 C--O 1.347 5.948 0 O-C-N 128.196 3.735 . . . . 10.01 109.244 -178.683 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.33 -53.1 50.83 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.299 2 O-C-N 113.812 -5.555 . . . . 7.2 107.006 173.102 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' AIB . . . . . . . . . . . . 0.298 . . . . . . . 1 C--O 1.322 4.879 1 O-C-N 115.26 -4.65 . . . . 6.35 107.401 178.028 . . . . . . . . 3 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' AIB . . . . . . . . . . . . 0.305 . . . . . . . 1 C--O 1.329 5.261 0 O-C-N 116.329 -3.982 . . . . 9.79 104.948 -172.882 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -78.9 -29.72 44.48 Favored 'General case' 1 C--O 1.391 8.503 2 O-C-N 112.479 -6.388 . . . . 17.61 103.178 -174.648 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -72.47 -39.48 67.68 Favored 'General case' 0 C--N 1.27 -2.855 1 CA-C-N 126.424 4.193 . . . . 8.49 115.527 178.14 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' PHL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' CCN . . . . . 0.47 ' H22' ' HB3' ' B' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CCN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' MOH . . . . . 0.754 ' O ' ' C ' ' B' ' 28' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' MOH . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MOH . . . . . 0.403 ' O ' ' C ' ' C' ' 25' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' MOH . . . . . 0.754 ' C ' ' O ' ' B' ' 23' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' MOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_