data_1hcr_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 1hcr _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 ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 C5'--C4' 1.587 9.481 5 O4'-C1'-N19 117.271 11.839 . . . . 74.56 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.423 ' N1 ' ' N3 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.547 4.487 6 O4'-C1'-N19 121.859 17.573 . . . . 82.17 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 4 P--O3' 1.683 6.303 4 P-O3'-C3' 131.148 9.54 . . . . 70.92 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.42 ' N3 ' ' N1 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.564 6.615 3 O4'-C1'-C2' 99.235 -6.241 . . . . 60.77 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.411 ' O2 ' ' N ' ' A' ' 140' ' ' ARG . . . . . . . . 2 C5'--C4' 1.465 -5.797 3 O4'-C1'-C2' 97.652 -7.68 . . . . 69.64 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.615 ' N3 ' ' N1 ' ' C' ' 25' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.473 -4.783 5 C4'-C3'-C2' 94.623 -8.577 . . . . 77.57 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.221 3 O4'-C1'-C2' 100.537 -5.057 . . . . 48.63 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.472 ' N7 ' ' NH2' ' A' ' 178' ' ' ARG . . . . . . . . 3 P--O3' 1.544 -5.24 1 P-O3'-C3' 112.868 -5.694 . . . . 44.94 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.47 ' N1 ' ' N3 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 1 P--O3' 1.559 -4.007 1 P-O3'-C3' 114.001 -4.75 . . . . 52.03 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.47 -3.661 4 O4'-C1'-C2' 96.493 -8.733 . . . . 63.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.541 ' N1 ' ' N3 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 4 C4'--C3' 1.445 -8.329 2 N19-C1'-C2' 104.465 -6.085 . . . . 73.58 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C4'--C3' 1.458 -7.049 4 C5'-C4'-C3' 103.485 -7.477 . . . . 69.52 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.469 ' N1 ' ' N3 ' ' C' ' 18' ' ' ' DC' . . . . . . . . 2 C4'--C3' 1.479 -4.858 4 O4'-C1'-C2' 99.6 -5.909 . . . . 69.84 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.572 7.594 4 C1'-O4'-C4' 97.381 -8.799 . . . . 84.96 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.312 2 O4'-C1'-C2' 97.929 -7.428 . . . . 64.13 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.469 ' N3 ' ' N1 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 1 C4'--C3' 1.48 -4.754 4 P-O3'-C3' 128.398 7.248 . . . . 63.61 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.775 2 O4'-C1'-N19 101.818 -7.478 . . . . 52.66 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.541 ' N3 ' ' N1 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.488 4.367 3 O3'-P-O5' 90.785 -6.955 . . . . 65.07 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.665 4.86 5 P-O3'-C3' 130.386 8.905 . . . . 64.3 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.47 ' N3 ' ' N1 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.442 -8.598 2 P-O5'-C5' 109.638 -7.039 . . . . 47.25 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.062 4 O4'-C1'-N19 100.578 -9.027 . . . . 57.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.551 -4.654 3 C4'-C3'-O3' 99.677 -4.829 . . . . 54.46 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.615 ' N1 ' ' N3 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 1 P--O3' 1.549 -4.866 3 O4'-C1'-C2' 99.442 -6.053 . . . . 55.98 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.496 ' C6 ' ' C6 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 1 C4'--C3' 1.47 -5.844 4 O4'-C1'-C2' 98.257 -7.13 . . . . 63.44 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.496 ' C6 ' ' C6 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 2 P--O3' 1.549 -4.859 2 O4'-C1'-C2' 100.166 -5.395 . . . . 54.42 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.468 -5.368 6 C4'-C3'-C2' 93.268 -9.932 . . . . 62.32 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.423 ' N3 ' ' N1 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 1 O4'--C4' 1.391 -5.016 4 P-O5'-C5' 137.029 10.08 . . . . 66.75 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.993 0 N-CA-C 105.638 -2.985 . . . . 67.99 105.638 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ARG . . . . . 0.411 ' N ' ' O2 ' ' B' ' 6' ' ' ' DT' . 32.4 ttt-85 -72.92 167.96 29.11 Favored Pre-proline 0 C--O 1.248 0.998 0 O-C-N 125.731 1.489 . . . . 63.85 109.577 179.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -87.9 131.41 2.73 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.933 2.422 . . . . 62.89 118.081 172.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.01 120.41 3.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 108.954 -3.748 . . . . 71.83 106.083 179.057 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.49 73.78 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 123.448 2.84 . . . . 72.31 117.875 -170.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.11 118.62 55.24 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 CA-C-O 126.079 2.847 . . . . 66.84 104.626 178.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.52 73.49 0.75 Allowed 'General case' 0 CA--C 1.559 1.321 2 CA-C-N 104.723 -5.671 . . . . 77.77 111.878 -174.212 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 20.18 -52.92 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.152 1 C-N-CA 132.773 4.429 . . . . 71.52 120.179 -175.995 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -65.55 -20.74 66.45 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 121.412 1.915 . . . . 79.31 106.081 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.48 -10.33 59.62 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-O 118.354 -0.832 . . . . 65.22 112.492 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -75.45 -28.23 59.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 122.459 2.391 . . . . 70.07 108.068 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.0 -59.78 3.0 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 119.306 -2.121 . . . . 74.16 107.237 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -43.32 -53.67 5.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 127.726 3.141 . . . . 78.41 109.614 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' SER . 18.6 mt -70.1 -58.54 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-O 112.351 -3.69 . . . . 59.59 109.94 178.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 152' ' ' ILE . 49.8 m -35.69 -46.27 0.42 Allowed 'General case' 0 CA--C 1.515 -0.388 1 CA-C-N 127.095 4.498 . . . . 66.25 113.735 -176.535 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -63.75 -70.54 0.21 Allowed 'General case' 0 N--CA 1.418 -2.053 0 CA-C-N 110.064 -3.244 . . . . 74.34 105.37 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 68.7 mt -48.91 -40.13 28.82 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 121.577 1.99 . . . . 64.92 115.031 -173.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.3 pp -81.63 -33.09 31.62 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 121.344 1.884 . . . . 68.72 112.927 -177.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.71 -18.23 62.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.774 1.624 . . . . 87.57 109.195 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -98.63 46.29 1.0 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 119.176 -2.203 . . . . 72.61 106.701 170.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.42 27.79 Favored Glycine 0 C--N 1.337 0.636 0 O-C-N 118.754 -2.467 . . . . 64.23 118.232 169.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HIS . . . . . 0.474 ' CD2' ' OE1' ' A' ' 164' ' ' GLN . 25.1 m80 -114.3 134.18 22.3 Favored Pre-proline 0 N--CA 1.442 -0.834 0 O-C-N 119.385 -2.244 . . . . 70.14 111.701 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -71.1 133.3 22.84 Favored 'Trans proline' 0 C--O 1.252 1.176 0 C-N-CA 124.238 3.292 . . . . 59.54 114.258 175.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -63.18 -42.77 99.43 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 112.233 -2.258 . . . . 51.96 110.644 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.29 -33.63 59.14 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 121.553 1.979 . . . . 58.98 106.824 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' GLN . . . . . 0.474 ' OE1' ' CD2' ' A' ' 160' ' ' HIS . 1.2 tt0 -68.99 -59.04 3.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 119.693 -1.88 . . . . 70.76 110.029 176.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.5 mt -54.89 -27.26 41.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 117.335 2.346 . . . . 64.61 117.335 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' ALA . . . . . . . . . . . . . . . -79.04 -13.17 59.94 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 117.747 2.499 . . . . 71.47 117.747 173.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -11.3 10.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 1 CA-C-N 126.089 4.04 . . . . 74.4 111.634 172.897 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 38.7 mt -79.78 -67.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.193 1 N-CA-C 98.708 -4.553 . . . . 66.41 98.708 173.429 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . 0.296 50.5 m-85 -86.75 121.54 29.4 Favored 'General case' 0 CA--C 1.479 -1.755 1 N-CA-C 93.864 -6.347 . . . . 66.85 93.864 176.711 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -79.85 87.36 1.25 Allowed Glycine 0 N--CA 1.474 1.187 0 CA-C-O 123.512 1.618 . . . . 62.2 116.924 -174.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 25.8 pt -127.48 -173.33 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.972 1 N-CA-C 100.167 -4.012 . . . . 57.49 100.167 179.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -102.0 151.87 18.49 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 103.858 -3.697 . . . . 48.55 103.858 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.25 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 C-N-CA 119.296 -0.962 . . . . 38.81 111.794 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -36.35 82.34 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 119.487 -2.008 . . . . 50.56 110.673 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 95.5 m -59.97 -53.97 51.54 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 51.27 111.334 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.86 -49.45 71.09 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.554 -1.689 . . . . 52.65 110.375 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.26 -25.57 67.71 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 125.107 3.594 . . . . 53.3 107.556 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' ARG . . . . . 0.472 ' NH2' ' N7 ' ' B' ' 9' ' ' ' DG' . 18.5 ttm105 -71.07 -44.94 64.71 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 125.234 3.652 . . . . 53.78 110.228 179.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.42 -54.8 14.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 118.672 0.669 . . . . 52.03 111.938 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.69 103.33 50.79 Favored Pre-proline 0 N--CA 1.439 -0.996 1 N-CA-C 98.745 -4.539 . . . . 55.7 98.745 -174.781 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -93.54 -122.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.343 0 N-CA-C 118.526 2.471 . . . . 56.29 118.526 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 175.47 -97.2 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.971 -2.442 . . . . 69.35 105.958 170.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 8.0 t -167.93 157.67 10.04 Favored 'General case' 0 CA--C 1.575 1.917 0 CA-C-N 124.293 3.224 . . . . 76.71 118.236 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 47.3 m 54.55 -27.02 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.104 1 N-CA-C 132.156 7.835 . . . . 75.08 132.156 169.154 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' ILE . . . . . 0.459 ' O ' ' N2 ' ' B' ' 14' ' ' ' DG' . 3.1 mt -90.23 78.12 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 1 CA-C-N 127.322 4.601 . . . . 68.49 111.167 -165.349 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.91 164.57 19.8 Favored 'General case' 0 CA--C 1.495 -1.148 1 N-CA-C 128.623 6.527 . . . . 69.37 128.623 -151.117 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.13 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.365 1.272 1 N-CA-C 129.907 7.003 . . . . 61.86 129.907 148.789 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' ARG . . . . . 0.505 ' O ' ' N3 ' ' B' ' 12' ' ' ' DA' . 9.9 ptt-85 -179.0 -179.08 0.56 Allowed 'General case' 0 N--CA 1.496 1.873 1 CA-C-N 128.307 5.049 . . . . 74.93 119.265 -161.915 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 74.14 144.62 0.08 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 118.415 2.746 . . . . 82.11 118.415 173.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 100.748 -3.797 . . . . 74.91 100.748 163.867 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DT' . . . . . 0.492 ' C4 ' " H1'" ' B' ' 4' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.587 9.481 5 O4'-C1'-N19 117.271 11.839 . . . . 74.56 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.487 6 O4'-C1'-N19 121.859 17.573 . . . . 82.17 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DT' . . . . . 0.492 " H1'" ' C4 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 4 P--O3' 1.683 6.303 4 P-O3'-C3' 131.148 9.54 . . . . 70.92 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DT' . . . . . 0.4 ' H3 ' ' H61' ' C' ' 27' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.564 6.615 3 O4'-C1'-C2' 99.235 -6.241 . . . . 60.77 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' DT' . . . . . 0.54 " O4'" ' HA3' ' A' ' 139' ' ' GLY . . . . . . . . 2 C5'--C4' 1.465 -5.797 3 O4'-C1'-C2' 97.652 -7.68 . . . . 69.64 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ' DT' . . . . . 0.468 ' N3 ' ' N1 ' ' C' ' 25' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.473 -4.783 5 C4'-C3'-C2' 94.623 -8.577 . . . . 77.57 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ' DT' . . . . . 0.458 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.561 6.221 3 O4'-C1'-C2' 100.537 -5.057 . . . . 48.63 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DG' . . . . . 0.472 ' N7 ' ' NH2' ' A' ' 178' ' ' ARG . . . . . . . . 3 P--O3' 1.544 -5.24 1 P-O3'-C3' 112.868 -5.694 . . . . 44.94 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.559 -4.007 1 P-O3'-C3' 114.001 -4.75 . . . . 52.03 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DT' . . . . . 0.504 H2'' ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.47 -3.661 4 O4'-C1'-C2' 96.493 -8.733 . . . . 63.52 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ' DA' . . . . . 0.505 ' N3 ' ' O ' ' A' ' 188' ' ' ARG . . . . . . . . 4 C4'--C3' 1.445 -8.329 2 N19-C1'-C2' 104.465 -6.085 . . . . 73.58 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ' DA' . . . . . 0.738 " H2'" ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 3 C4'--C3' 1.458 -7.049 4 C5'-C4'-C3' 103.485 -7.477 . . . . 69.52 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ' DG' . . . . . 0.738 ' C8 ' " H2'" ' B' ' 13' ' ' ' DA' . . . . . . . . 2 C4'--C3' 1.479 -4.858 4 O4'-C1'-C2' 99.6 -5.909 . . . . 69.84 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ' DA' . . . . . 0.534 ' OP1' " H4'" ' B' ' 14' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.572 7.594 4 C1'-O4'-C4' 97.381 -8.799 . . . . 84.96 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.312 2 O4'-C1'-C2' 97.929 -7.428 . . . . 64.13 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ' DC' . . . . . 0.415 " H2'" ' C6 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 1 C4'--C3' 1.48 -4.754 4 P-O3'-C3' 128.398 7.248 . . . . 63.61 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ' DT' . . . . . 0.415 ' C6 ' " H2'" ' C' ' 18' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.549 4.775 2 O4'-C1'-N19 101.818 -7.478 . . . . 52.66 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ' DT' . . . . . 0.524 " H2'" ' C8 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.488 4.367 3 O3'-P-O5' 90.785 -6.955 . . . . 65.07 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ' DA' . . . . . 0.524 ' C8 ' " H2'" ' C' ' 20' ' ' ' DT' . . . . . . . . 2 P--O3' 1.665 4.86 5 P-O3'-C3' 130.386 8.905 . . . . 64.3 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.442 -8.598 2 P-O5'-C5' 109.638 -7.039 . . . . 47.25 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.062 4 O4'-C1'-N19 100.578 -9.027 . . . . 57.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.551 -4.654 3 C4'-C3'-O3' 99.677 -4.829 . . . . 54.46 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ' DA' . . . . . 0.468 ' N1 ' ' N3 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 1 P--O3' 1.549 -4.866 3 O4'-C1'-C2' 99.442 -6.053 . . . . 55.98 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ' DA' . . . . . 0.522 ' H2 ' ' HD2' ' A' ' 140' ' ' ARG . . . . . . . . 1 C4'--C3' 1.47 -5.844 4 O4'-C1'-C2' 98.257 -7.13 . . . . 63.44 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ' DA' . . . . . 0.496 ' C6 ' ' C6 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 2 P--O3' 1.549 -4.859 2 O4'-C1'-C2' 100.166 -5.395 . . . . 54.42 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ' DA' . . . . . 0.46 ' OP1' ' HG3' ' A' ' 141' ' ' PRO . . . . . . . . 3 C5'--C4' 1.468 -5.368 6 C4'-C3'-C2' 93.268 -9.932 . . . . 62.32 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.016 4 P-O5'-C5' 137.029 10.08 . . . . 66.75 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' GLY . . . . . 0.54 ' HA3' " O4'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 N--CA 1.441 -0.993 0 N-CA-C 105.638 -2.985 . . . . 67.99 105.638 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ARG . . . . . 0.522 ' HD2' ' H2 ' ' C' ' 26' ' ' ' DA' . 32.4 ttt-85 -72.92 167.96 29.11 Favored Pre-proline 0 C--O 1.248 0.998 0 O-C-N 125.731 1.489 . . . . 63.85 109.577 179.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' PRO . . . . . 0.483 ' HD2' ' HG2' ' A' ' 140' ' ' ARG . 36.0 Cg_endo -87.9 131.41 2.73 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.933 2.422 . . . . 62.89 118.081 172.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ARG . . . . . 0.421 ' HD2' H5'' ' B' ' 7' ' ' ' DT' . 0.8 OUTLIER -48.01 120.41 3.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 108.954 -3.748 . . . . 71.83 106.083 179.057 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.49 73.78 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 123.448 2.84 . . . . 72.31 117.875 -170.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.11 118.62 55.24 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 CA-C-O 126.079 2.847 . . . . 66.84 104.626 178.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.52 73.49 0.75 Allowed 'General case' 0 CA--C 1.559 1.321 2 CA-C-N 104.723 -5.671 . . . . 77.77 111.878 -174.212 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 20.18 -52.92 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.152 1 C-N-CA 132.773 4.429 . . . . 71.52 120.179 -175.995 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -65.55 -20.74 66.45 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 121.412 1.915 . . . . 79.31 106.081 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.48 -10.33 59.62 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-O 118.354 -0.832 . . . . 65.22 112.492 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -75.45 -28.23 59.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 122.459 2.391 . . . . 70.07 108.068 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.0 -59.78 3.0 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 119.306 -2.121 . . . . 74.16 107.237 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -43.32 -53.67 5.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 127.726 3.141 . . . . 78.41 109.614 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' SER . 18.6 mt -70.1 -58.54 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-O 112.351 -3.69 . . . . 59.59 109.94 178.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 153' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 152' ' ' ILE . 49.8 m -35.69 -46.27 0.42 Allowed 'General case' 0 CA--C 1.515 -0.388 1 CA-C-N 127.095 4.498 . . . . 66.25 113.735 -176.535 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -63.75 -70.54 0.21 Allowed 'General case' 0 N--CA 1.418 -2.053 0 CA-C-N 110.064 -3.244 . . . . 74.34 105.37 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' LEU . . . . . 0.54 ' O ' ' HD2' ' A' ' 160' ' ' HIS . 68.7 mt -48.91 -40.13 28.82 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 121.577 1.99 . . . . 64.92 115.031 -173.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 156' ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 160' ' ' HIS . 4.3 pp -81.63 -33.09 31.62 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 121.344 1.884 . . . . 68.72 112.927 -177.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.71 -18.23 62.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.774 1.624 . . . . 87.57 109.195 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -98.63 46.29 1.0 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 119.176 -2.203 . . . . 72.61 106.701 170.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.42 27.79 Favored Glycine 0 C--N 1.337 0.636 0 O-C-N 118.754 -2.467 . . . . 64.23 118.232 169.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HIS . . . . . 0.54 ' HD2' ' O ' ' A' ' 155' ' ' LEU . 44.2 m-70 -114.3 134.18 22.3 Favored Pre-proline 0 N--CA 1.442 -0.834 0 O-C-N 119.385 -2.244 . . . . 70.14 111.701 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 161' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 160' ' ' HIS . 40.7 Cg_endo -71.1 133.3 22.84 Favored 'Trans proline' 0 C--O 1.252 1.176 0 C-N-CA 124.238 3.292 . . . . 59.54 114.258 175.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -63.18 -42.77 99.43 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 112.233 -2.258 . . . . 51.96 110.644 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.29 -33.63 59.14 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 121.553 1.979 . . . . 58.98 106.824 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.99 -59.04 3.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 119.693 -1.88 . . . . 70.76 110.029 176.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.5 mt -54.89 -27.26 41.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 117.335 2.346 . . . . 64.61 117.335 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 176' ' ' LEU . . . -79.04 -13.17 59.94 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 117.747 2.499 . . . . 71.47 117.747 173.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -11.3 10.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 1 CA-C-N 126.089 4.04 . . . . 74.4 111.634 172.897 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 38.7 mt -79.78 -67.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.193 1 N-CA-C 98.708 -4.553 . . . . 66.41 98.708 173.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . 0.296 50.5 m-85 -86.75 121.54 29.4 Favored 'General case' 0 CA--C 1.479 -1.755 1 N-CA-C 93.864 -6.347 . . . . 66.85 93.864 176.711 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -79.85 87.36 1.25 Allowed Glycine 0 N--CA 1.474 1.187 0 CA-C-O 123.512 1.618 . . . . 62.2 116.924 -174.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 171' ' ' ILE . 25.8 pt -127.48 -173.33 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.972 1 N-CA-C 100.167 -4.012 . . . . 57.49 100.167 179.304 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -102.0 151.87 18.49 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 103.858 -3.697 . . . . 48.55 103.858 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.25 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 C-N-CA 119.296 -0.962 . . . . 38.81 111.794 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -36.35 82.34 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 119.487 -2.008 . . . . 50.56 110.673 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 95.5 m -59.97 -53.97 51.54 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 51.27 111.334 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 166' ' ' ALA . 68.2 mt -54.86 -49.45 71.09 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.554 -1.689 . . . . 52.65 110.375 174.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.26 -25.57 67.71 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 125.107 3.594 . . . . 53.3 107.556 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' ARG . . . . . 0.472 ' NH2' ' N7 ' ' B' ' 9' ' ' ' DG' . 18.5 ttm105 -71.07 -44.94 64.71 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 125.234 3.652 . . . . 53.78 110.228 179.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.42 -54.8 14.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 118.672 0.669 . . . . 52.03 111.938 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.69 103.33 50.79 Favored Pre-proline 0 N--CA 1.439 -0.996 1 N-CA-C 98.745 -4.539 . . . . 55.7 98.745 -174.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -93.54 -122.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.343 0 N-CA-C 118.526 2.471 . . . . 56.29 118.526 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 175.47 -97.2 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.971 -2.442 . . . . 69.35 105.958 170.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' SER . . . . . 0.47 ' HA ' ' OP1' ' C' ' 20' ' ' ' DT' . 8.0 t -167.93 157.67 10.04 Favored 'General case' 0 CA--C 1.575 1.917 0 CA-C-N 124.293 3.224 . . . . 76.71 118.236 178.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 47.3 m 54.55 -27.02 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.104 1 N-CA-C 132.156 7.835 . . . . 75.08 132.156 169.154 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 185' ' ' ILE . . . . . 0.543 HG22 ' N2 ' ' B' ' 14' ' ' ' DG' . 3.1 mt -90.23 78.12 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 1 CA-C-N 127.322 4.601 . . . . 68.49 111.167 -165.349 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 186' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 187' ' ' LYS . 0.0 OUTLIER -124.91 164.57 19.8 Favored 'General case' 0 CA--C 1.495 -1.148 1 N-CA-C 128.623 6.527 . . . . 69.37 128.623 -151.117 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 187' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 186' ' ' LYS . 0.0 OUTLIER 175.13 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.365 1.272 1 N-CA-C 129.907 7.003 . . . . 61.86 129.907 148.789 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 188' ' ' ARG . . . . . 0.529 ' HG3' ' SD ' ' A' ' 189' ' ' MET . 9.9 ptt-85 -179.0 -179.08 0.56 Allowed 'General case' 0 N--CA 1.496 1.873 1 CA-C-N 128.307 5.049 . . . . 74.93 119.265 -161.915 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 189' ' ' MET . . . . . 0.529 ' SD ' ' HG3' ' A' ' 188' ' ' ARG . 0.9 OUTLIER 74.14 144.62 0.08 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 118.415 2.746 . . . . 82.11 118.415 173.995 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 190' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 100.748 -3.797 . . . . 74.91 100.748 163.867 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.492 ' C4 ' " H1'" ' B' ' 4' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.587 9.481 5 O4'-C1'-N19 117.271 11.839 . . . . 74.56 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.487 6 O4'-C1'-N19 121.859 17.573 . . . . 82.17 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.492 " H1'" ' C4 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 4 P--O3' 1.683 6.303 4 P-O3'-C3' 131.148 9.54 . . . . 70.92 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.4 ' H3 ' ' H61' ' C' ' 27' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.564 6.615 3 O4'-C1'-C2' 99.235 -6.241 . . . . 60.77 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.54 " O4'" ' HA3' ' A' ' 139' ' ' GLY . . . . . . . . 2 C5'--C4' 1.465 -5.797 3 O4'-C1'-C2' 97.652 -7.68 . . . . 69.64 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.468 ' N3 ' ' N1 ' ' C' ' 25' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.473 -4.783 5 C4'-C3'-C2' 94.623 -8.577 . . . . 77.57 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.458 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.561 6.221 3 O4'-C1'-C2' 100.537 -5.057 . . . . 48.63 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.472 ' N7 ' ' NH2' ' A' ' 178' ' ' ARG . . . . . . . . 3 P--O3' 1.544 -5.24 1 P-O3'-C3' 112.868 -5.694 . . . . 44.94 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.559 -4.007 1 P-O3'-C3' 114.001 -4.75 . . . . 52.03 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DT' . . . . . 0.504 H2'' ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.47 -3.661 4 O4'-C1'-C2' 96.493 -8.733 . . . . 63.52 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.505 ' N3 ' ' O ' ' A' ' 188' ' ' ARG . . . . . . . . 4 C4'--C3' 1.445 -8.329 2 N19-C1'-C2' 104.465 -6.085 . . . . 73.58 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.738 " H2'" ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 3 C4'--C3' 1.458 -7.049 4 C5'-C4'-C3' 103.485 -7.477 . . . . 69.52 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.738 ' C8 ' " H2'" ' B' ' 13' ' ' ' DA' . . . . . . . . 2 C4'--C3' 1.479 -4.858 4 O4'-C1'-C2' 99.6 -5.909 . . . . 69.84 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ' DA' . . . . . 0.534 ' OP1' " H4'" ' B' ' 14' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.572 7.594 4 C1'-O4'-C4' 97.381 -8.799 . . . . 84.96 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.312 2 O4'-C1'-C2' 97.929 -7.428 . . . . 64.13 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.415 " H2'" ' C6 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 1 C4'--C3' 1.48 -4.754 4 P-O3'-C3' 128.398 7.248 . . . . 63.61 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.415 ' C6 ' " H2'" ' C' ' 18' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.549 4.775 2 O4'-C1'-N19 101.818 -7.478 . . . . 52.66 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.524 " H2'" ' C8 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.488 4.367 3 O3'-P-O5' 90.785 -6.955 . . . . 65.07 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.524 ' C8 ' " H2'" ' C' ' 20' ' ' ' DT' . . . . . . . . 2 P--O3' 1.665 4.86 5 P-O3'-C3' 130.386 8.905 . . . . 64.3 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.442 -8.598 2 P-O5'-C5' 109.638 -7.039 . . . . 47.25 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.57 -3.062 4 O4'-C1'-N19 100.578 -9.027 . . . . 57.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.551 -4.654 3 C4'-C3'-O3' 99.677 -4.829 . . . . 54.46 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.468 ' N1 ' ' N3 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 1 P--O3' 1.549 -4.866 3 O4'-C1'-C2' 99.442 -6.053 . . . . 55.98 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.522 ' H2 ' ' HD2' ' A' ' 140' ' ' ARG . . . . . . . . 1 C4'--C3' 1.47 -5.844 4 O4'-C1'-C2' 98.257 -7.13 . . . . 63.44 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.496 ' C6 ' ' C6 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 2 P--O3' 1.549 -4.859 2 O4'-C1'-C2' 100.166 -5.395 . . . . 54.42 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.46 ' OP1' ' HG3' ' A' ' 141' ' ' PRO . . . . . . . . 3 C5'--C4' 1.468 -5.368 6 C4'-C3'-C2' 93.268 -9.932 . . . . 62.32 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.391 -5.016 4 P-O5'-C5' 137.029 10.08 . . . . 66.75 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.54 ' HA3' " O4'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 N--CA 1.441 -0.993 0 N-CA-C 105.638 -2.985 . . . . 67.99 105.638 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.522 ' HD2' ' H2 ' ' C' ' 26' ' ' ' DA' . 32.4 ttt-85 -72.92 167.96 29.11 Favored Pre-proline 0 C--O 1.248 0.998 0 O-C-N 125.731 1.489 . . . . 63.85 109.577 179.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.483 ' HD2' ' HG2' ' A' ' 140' ' ' ARG . 36.0 Cg_endo -87.9 131.41 2.73 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.933 2.422 . . . . 62.89 118.081 172.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.421 ' HD2' H5'' ' B' ' 7' ' ' ' DT' . 0.8 OUTLIER -48.01 120.41 3.48 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 108.954 -3.748 . . . . 71.83 106.083 179.057 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.49 73.78 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 123.448 2.84 . . . . 72.31 117.875 -170.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.436 HG13 HE21 ' A' ' 149' ' ' GLN . 0.0 OUTLIER -107.11 118.62 55.24 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.14 0 CA-C-O 126.079 2.847 . . . . 66.84 104.626 178.314 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.52 73.49 0.75 Allowed 'General case' 0 CA--C 1.559 1.321 2 CA-C-N 104.723 -5.671 . . . . 77.77 111.878 -174.212 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 20.18 -52.92 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.152 1 C-N-CA 132.773 4.429 . . . . 71.52 120.179 -175.995 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -65.55 -20.74 66.45 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 121.412 1.915 . . . . 79.31 106.081 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -73.48 -10.33 59.62 Favored 'General case' 0 CA--C 1.498 -1.05 0 CA-C-O 118.354 -0.832 . . . . 65.22 112.492 174.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.436 HE21 HG13 ' A' ' 144' ' ' ILE . 84.5 mt-30 -75.45 -28.23 59.22 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 122.459 2.391 . . . . 70.07 108.068 175.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.0 -59.78 3.0 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 119.306 -2.121 . . . . 74.16 107.237 176.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -43.32 -53.67 5.11 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 127.726 3.141 . . . . 78.41 109.614 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' SER . 18.6 mt -70.1 -58.54 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 CA-C-O 112.351 -3.69 . . . . 59.59 109.94 178.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 152' ' ' ILE . 49.8 m -35.69 -46.27 0.42 Allowed 'General case' 0 CA--C 1.515 -0.388 1 CA-C-N 127.095 4.498 . . . . 66.25 113.735 -176.535 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -63.75 -70.54 0.21 Allowed 'General case' 0 N--CA 1.418 -2.053 0 CA-C-N 110.064 -3.244 . . . . 74.34 105.37 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 68.7 mt -48.91 -40.13 28.82 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-N 121.577 1.99 . . . . 64.92 115.031 -173.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' ' 160' ' ' HIS . 4.3 pp -81.63 -33.09 31.62 Favored 'General case' 0 C--O 1.241 0.617 0 CA-C-N 121.344 1.884 . . . . 68.72 112.927 -177.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.71 -18.23 62.81 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 120.774 1.624 . . . . 87.57 109.195 174.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -98.63 46.29 1.0 Allowed 'General case' 0 CA--C 1.552 1.049 0 O-C-N 119.176 -2.203 . . . . 72.61 106.701 170.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.42 27.79 Favored Glycine 0 C--N 1.337 0.636 0 O-C-N 118.754 -2.467 . . . . 64.23 118.232 169.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 156' ' ' LEU . 25.1 m80 -114.3 134.18 22.3 Favored Pre-proline 0 N--CA 1.442 -0.834 0 O-C-N 119.385 -2.244 . . . . 70.14 111.701 179.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 160' ' ' HIS . 40.7 Cg_endo -71.1 133.3 22.84 Favored 'Trans proline' 0 C--O 1.252 1.176 0 C-N-CA 124.238 3.292 . . . . 59.54 114.258 175.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -63.18 -42.77 99.43 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-N 112.233 -2.258 . . . . 51.96 110.644 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.29 -33.63 59.14 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 121.553 1.979 . . . . 58.98 106.824 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.489 ' OE1' ' HD2' ' A' ' 160' ' ' HIS . 1.2 tt0 -68.99 -59.04 3.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 119.693 -1.88 . . . . 70.76 110.029 176.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.5 mt -54.89 -27.26 41.44 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 117.335 2.346 . . . . 64.61 117.335 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' ALA . . . . . 0.493 ' HB2' HD12 ' A' ' 176' ' ' LEU . . . -79.04 -13.17 59.94 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 117.747 2.499 . . . . 71.47 117.747 173.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.23 -11.3 10.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 1 CA-C-N 126.089 4.04 . . . . 74.4 111.634 172.897 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 38.7 mt -79.78 -67.06 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.193 1 N-CA-C 98.708 -4.553 . . . . 66.41 98.708 173.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . 0.296 50.5 m-85 -86.75 121.54 29.4 Favored 'General case' 0 CA--C 1.479 -1.755 1 N-CA-C 93.864 -6.347 . . . . 66.85 93.864 176.711 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -79.85 87.36 1.25 Allowed Glycine 0 N--CA 1.474 1.187 0 CA-C-O 123.512 1.618 . . . . 62.2 116.924 -174.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 171' ' ' ILE . 25.8 pt -127.48 -173.33 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.972 1 N-CA-C 100.167 -4.012 . . . . 57.49 100.167 179.304 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' GLY . . . . . . . . . . . . . . . -102.0 151.87 18.49 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 103.858 -3.697 . . . . 48.55 103.858 178.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.25 -31.82 46.97 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.604 0 C-N-CA 119.296 -0.962 . . . . 38.81 111.794 177.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 1.2 m -62.53 -36.35 82.34 Favored 'General case' 0 C--N 1.313 -0.999 0 O-C-N 119.487 -2.008 . . . . 50.56 110.673 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 95.5 m -59.97 -53.97 51.54 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 126.015 1.726 . . . . 51.27 111.334 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.493 HD12 ' HB2' ' A' ' 166' ' ' ALA . 68.2 mt -54.86 -49.45 71.09 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 116.554 -1.689 . . . . 52.65 110.375 174.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -65.26 -25.57 67.71 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 125.107 3.594 . . . . 53.3 107.556 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' ARG . . . . . 0.472 ' NH2' ' N7 ' ' B' ' 9' ' ' ' DG' . 18.5 ttm105 -71.07 -44.94 64.71 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-N 125.234 3.652 . . . . 53.78 110.228 179.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.42 -54.8 14.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 118.672 0.669 . . . . 52.03 111.938 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.69 103.33 50.79 Favored Pre-proline 0 N--CA 1.439 -0.996 1 N-CA-C 98.745 -4.539 . . . . 55.7 98.745 -174.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -93.54 -122.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.343 0 N-CA-C 118.526 2.471 . . . . 56.29 118.526 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 175.47 -97.2 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.971 -2.442 . . . . 69.35 105.958 170.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' SER . . . . . 0.47 ' HA ' ' OP1' ' C' ' 20' ' ' ' DT' . 8.0 t -167.93 157.67 10.04 Favored 'General case' 0 CA--C 1.575 1.917 0 CA-C-N 124.293 3.224 . . . . 76.71 118.236 178.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 47.3 m 54.55 -27.02 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.104 1 N-CA-C 132.156 7.835 . . . . 75.08 132.156 169.154 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' ILE . . . . . 0.543 HG22 ' N2 ' ' B' ' 14' ' ' ' DG' . 3.1 mt -90.23 78.12 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 1 CA-C-N 127.322 4.601 . . . . 68.49 111.167 -165.349 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 187' ' ' LYS . 0.0 OUTLIER -124.91 164.57 19.8 Favored 'General case' 0 CA--C 1.495 -1.148 1 N-CA-C 128.623 6.527 . . . . 69.37 128.623 -151.117 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 186' ' ' LYS . 0.0 OUTLIER 175.13 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.365 1.272 1 N-CA-C 129.907 7.003 . . . . 61.86 129.907 148.789 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' ARG . . . . . 0.529 ' HG3' ' SD ' ' A' ' 189' ' ' MET . 9.9 ptt-85 -179.0 -179.08 0.56 Allowed 'General case' 0 N--CA 1.496 1.873 1 CA-C-N 128.307 5.049 . . . . 74.93 119.265 -161.915 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' MET . . . . . 0.529 ' SD ' ' HG3' ' A' ' 188' ' ' ARG . 0.9 OUTLIER 74.14 144.62 0.08 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 118.415 2.746 . . . . 82.11 118.415 173.995 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 . . . . . 0 CA--C 1.534 0.335 0 N-CA-C 100.748 -3.797 . . . . 74.91 100.748 163.867 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_