data_1avd_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 1avd _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 ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 CA--C 1.486 -1.483 0 CA-C-O 122.156 0.979 . . . . 70.62 108.777 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -53.26 123.62 12.35 Favored 'General case' 0 N--CA 1.414 -2.249 0 CA-C-N 112.146 -2.297 . . . . 58.06 105.261 176.419 -131.321 -91.525 -79.95 96.617 1.935 104.26 -67.45 -171.268 3 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -124.91 131.67 53.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.489 0.662 . . . . 58.12 111.495 177.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mt -80.04 -22.63 42.12 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.653 1.723 . . . . 81.94 115.653 -177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . 0.469 ' O ' ' NH2' ' A' ' 122' ' ' ARG . 0.6 OUTLIER -73.1 123.37 23.44 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 113.242 -1.799 . . . . 65.41 108.508 -176.894 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.0 -158.13 26.64 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.584 -1.189 . . . . 45.08 111.666 -174.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -124.4 116.18 22.15 Favored 'General case' 0 C--O 1.275 2.416 0 C-N-CA 125.277 1.431 . . . . 55.84 113.23 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -115.31 165.24 13.18 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 113.354 -1.748 . . . . 41.23 113.193 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -132.73 148.27 52.33 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 126.893 2.621 . . . . 63.77 114.061 174.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' OD1' ' CE2' ' A' ' 120' ' ' PHE 0.357 12.1 m-20 -97.07 165.51 12.03 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 127.593 2.357 . . . . 37.16 116.872 178.483 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.9 -2.57 21.34 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 112.353 -2.203 . . . . 34.89 109.933 171.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.7 mt -103.89 -23.11 13.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.93 -1.731 . . . . 42.19 108.168 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.23 2.14 24.84 Favored Glycine 0 C--O 1.207 -1.584 0 CA-C-O 119.0 -0.889 . . . . 33.27 113.571 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -65.11 155.92 33.29 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 114.372 1.249 . . . . 43.38 114.372 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' THR . 91.8 m-20 -131.29 120.3 22.99 Favored 'General case' 0 C--O 1.268 2.062 0 N-CA-C 107.185 -1.413 . . . . 79.14 107.185 -174.366 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.424 0.0 OUTLIER -124.47 141.79 51.81 Favored 'General case' 0 CA--C 1.488 -1.434 0 O-C-N 127.971 3.295 . . . . 54.84 110.565 176.853 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -129.99 117.9 20.77 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 112.394 -2.185 . . . . 42.89 108.497 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.81 141.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 112.208 -2.269 . . . . 50.93 110.482 177.241 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' O ' ' OG1' ' A' ' 7' ' ' THR . . . -88.83 -159.41 35.18 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-O 125.057 2.476 . . . . 44.89 110.422 173.722 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.5 154.07 24.08 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 119.039 -2.448 . . . . 50.98 111.259 -178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.5 m -95.5 156.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.409 0 CA-C-N 109.908 -3.315 . . . . 52.91 107.113 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.375 4.5 m120 -83.04 -141.51 0.06 Allowed 'General case' 0 CA--C 1.48 -1.739 0 N-CA-C 117.046 2.239 . . . . 71.16 117.046 -178.902 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -111.34 -29.33 7.85 Favored 'General case' 0 N--CA 1.447 -0.596 1 CA-C-N 107.145 -4.57 . . . . 72.16 107.164 175.542 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -3.9 59.01 Favored 'General case' 0 C--O 1.261 1.705 0 O-C-N 125.419 1.7 . . . . 63.05 112.902 178.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . 88.54 -11.74 67.32 Favored Glycine 0 C--N 1.374 2.686 0 O-C-N 125.377 1.673 . . . . 37.05 114.891 179.03 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.99 142.48 57.83 Favored 'General case' 0 C--O 1.204 -1.336 0 C-N-CA 127.555 2.342 . . . . 90.0 116.426 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -145.63 171.42 14.73 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.409 -0.96 . . . . 72.63 108.409 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.353 69.3 p -139.41 170.27 16.23 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.197 0.998 . . . . 78.42 112.733 175.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.12 -168.89 41.64 Favored Glycine 0 CA--C 1.498 -1.018 0 C-N-CA 115.911 -3.042 . . . . 29.88 112.02 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 p -144.51 139.85 28.5 Favored 'General case' 0 CA--C 1.482 -1.639 0 O-C-N 125.399 1.293 . . . . 34.95 111.812 -176.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 47' ' ' SER . 7.0 t80 -113.75 140.34 48.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 O-C-N 126.084 2.115 . . . . 40.37 110.445 -175.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -127.61 93.97 3.85 Favored 'General case' 0 CA--C 1.476 -1.869 0 N-CA-C 103.652 -2.722 . . . . 53.98 103.652 177.727 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 35' ' ' THR . 14.2 t -79.96 143.76 33.89 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 124.788 1.305 . . . . 40.92 109.598 178.96 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.81 -6.08 25.34 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 127.184 2.193 . . . . 25.51 114.415 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -140.41 156.63 24.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 104.412 -2.44 . . . . 20.99 104.412 176.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.0 p -145.72 163.82 33.75 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 106.994 -1.484 . . . . 54.65 106.994 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.58 -17.06 11.25 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 104.015 -2.587 . . . . 43.43 104.015 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.6 147.95 25.7 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 112.872 -1.967 . . . . 51.26 110.559 176.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.7 p -96.11 65.47 2.44 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 115.758 -2.377 . . . . 58.87 106.813 -178.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 0.4 OUTLIER -137.84 146.93 44.06 Favored 'General case' 0 C--O 1.198 -1.644 0 N-CA-C 115.522 1.675 . . . . 90.0 115.522 -178.264 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -61.95 119.65 9.27 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 116.338 -2.145 . . . . 82.73 110.007 -177.543 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.59 134.5 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.514 0 CA-C-N 112.138 -2.301 . . . . 39.85 111.885 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -145.37 133.77 21.87 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 116.627 -2.029 . . . . 90.0 115.038 173.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -34.87 112.38 0.15 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 125.319 1.448 . . . . 77.95 113.026 176.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -113.13 157.31 41.23 Favored Pre-proline 0 C--O 1.251 1.162 0 CA-C-O 125.196 2.427 . . . . 48.58 113.427 179.678 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 47' ' ' SER . 7.0 Cg_endo -86.0 139.39 6.3 Favored 'Trans proline' 0 C--N 1.298 -2.105 1 C-N-CA 125.562 4.175 . . . . 39.73 113.037 -179.781 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -125.81 135.79 52.39 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.085 -1.45 . . . . 42.61 107.085 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -126.87 122.67 35.34 Favored 'General case' 0 C--O 1.263 1.81 0 C-N-CA 126.715 2.006 . . . . 90.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.31 -154.59 6.31 Favored Glycine 0 N--CA 1.428 -1.889 0 CA-C-O 127.52 3.844 . . . . 36.5 116.3 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -165.01 150.77 9.83 Favored 'General case' 0 N--CA 1.38 -3.931 0 CA-C-N 110.535 -2.833 . . . . 46.32 107.607 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 8.9 tt0 -121.38 147.42 45.73 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.158 -1.383 . . . . 86.88 108.793 -177.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . 0.273 38.3 t30 -82.63 134.53 35.16 Favored 'General case' 0 C--O 1.255 1.358 0 CA-C-O 122.749 1.261 . . . . 64.71 114.04 -178.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.95 -15.69 13.27 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-N 112.722 -2.036 . . . . 69.99 112.293 -174.496 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.62 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 CA-C-N 114.287 -1.324 . . . . 51.11 109.795 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 77.02 131.41 0.05 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.583 -2.099 . . . . 90.0 109.94 -178.28 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.75 83.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.025 0.917 . . . . 90.0 109.862 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 124.97 35.16 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 107.34 -1.356 . . . . 82.96 107.34 177.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -3.56 16.34 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.906 -1.118 . . . . 62.81 108.674 -179.935 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -143.62 74.15 16.92 Favored Pre-proline 0 N--CA 1.436 -1.162 0 N-CA-C 114.301 1.223 . . . . 52.15 114.301 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -69.43 164.06 35.65 Favored 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 125.001 3.801 . . . . 41.16 116.592 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.2 p -97.17 142.11 29.48 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 110.138 -3.21 . . . . 63.96 108.588 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CZ ' ' CG2' ' A' ' 95' ' ' THR . 17.6 p90 -143.53 163.35 33.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-O 123.917 1.818 . . . . 45.39 110.606 -177.882 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -159.28 149.89 20.04 Favored Glycine 0 C--N 1.298 -1.581 0 CA-C-N 113.043 -1.89 . . . . 36.64 109.541 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -160.11 160.21 32.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 104.147 -2.538 . . . . 34.24 104.147 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.0 m -113.74 141.93 46.67 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 129.038 3.961 . . . . 21.77 113.494 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.56 118.22 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 116.854 -1.938 . . . . 25.18 111.361 175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.88 98.46 11.79 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 105.466 -2.05 . . . . 73.18 105.466 174.871 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' TRP . . . . . 0.471 ' NE1' ' OG1' ' A' ' 77' ' ' THR . 6.7 m95 -64.27 134.42 54.69 Favored 'General case' 0 N--CA 1.421 -1.903 0 O-C-N 125.519 1.762 . . . . 45.33 107.558 -175.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . 0.279 0.0 OUTLIER -89.36 -20.76 23.61 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 123.783 1.754 . . . . 75.68 112.641 -177.241 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 22.1 p90 -105.77 2.07 27.56 Favored 'General case' 0 C--N 1.269 -2.905 0 CA-C-N 114.026 -1.443 . . . . 33.33 114.332 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . 0.464 ' C ' ' N ' ' A' ' 75' ' ' SER . 67.6 p -139.87 155.64 47.11 Favored 'General case' 0 CA--C 1.463 -2.368 0 CA-C-N 122.078 2.217 . . . . 28.46 113.473 178.65 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.56 6.08 2.06 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 117.443 -1.703 . . . . 57.14 107.905 177.874 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . 0.464 ' N ' ' C ' ' A' ' 73' ' ' SER . 6.1 t -84.46 147.92 26.84 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.9 2.926 . . . . 48.18 118.9 -176.729 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.29 0.2 OUTLIER -121.63 134.45 54.99 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.088 1.755 . . . . 47.96 115.072 175.278 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' NE1' ' A' ' 70' ' ' TRP . 27.9 m -118.89 143.86 46.74 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 123.734 1.73 . . . . 32.32 113.87 174.107 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.54 138.61 54.18 Favored 'Isoleucine or valine' 0 C--O 1.271 2.215 0 CA-C-N 114.395 -1.275 . . . . 26.81 110.22 177.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -125.3 140.85 52.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 124.353 2.025 . . . . 53.83 113.075 176.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.366 12.8 t -139.6 147.55 41.27 Favored 'General case' 0 N--CA 1.408 -2.558 0 CA-C-N 112.478 -2.146 . . . . 35.29 110.204 172.555 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.48 -168.08 38.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 118.758 -1.687 . . . . 32.31 112.401 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -135.84 140.35 44.11 Favored 'General case' 0 C--O 1.275 2.401 0 CA-C-O 123.6 1.667 . . . . 49.47 111.567 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' CYS . . . . . 0.416 ' C ' ' SG ' ' A' ' 4' ' ' CYS . 35.4 t -89.41 123.1 33.25 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 112.605 -2.089 . . . . 47.86 107.173 178.683 -171.268 -67.45 -79.95 104.26 1.935 96.617 -91.525 -131.321 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.26 147.97 42.9 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 124.781 2.229 . . . . 42.26 113.927 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.98 102.47 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 113.319 -1.764 . . . . 76.54 108.725 179.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -55.49 177.55 0.05 OUTLIER 'General case' 0 C--O 1.269 2.092 0 CA-C-N 112.441 -2.163 . . . . 90.0 113.811 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -82.19 -29.01 31.7 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 111.535 -2.575 . . . . 65.53 107.083 176.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -69.55 -11.81 61.14 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-O 122.451 1.119 . . . . 90.0 108.069 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.68 1.06 74.52 Favored Glycine 0 C--O 1.257 1.576 0 O-C-N 120.415 -1.428 . . . . 66.57 109.842 -175.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -91.68 140.57 29.58 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 118.067 2.617 . . . . 67.4 118.067 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . 0.491 ' OE1' ' NH1' ' A' ' 122' ' ' ARG . 1.3 mt-10 -67.02 149.54 50.48 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 116.329 1.974 . . . . 90.0 116.329 176.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.56 109.13 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 124.904 2.288 . . . . 51.81 115.557 -178.018 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . 0.26 1.1 mp -84.29 118.99 24.54 Favored 'General case' 0 N--CA 1.409 -2.5 0 C-N-CA 116.174 -2.21 . . . . 40.65 109.509 172.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.2 103.71 13.3 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 105.052 -2.203 . . . . 42.02 105.052 173.103 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' THR . . . . . 0.474 ' CG2' ' CZ ' ' A' ' 64' ' ' PHE . 39.2 p -113.39 -175.84 2.76 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.014 -0.993 . . . . 41.79 111.405 -176.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ttt -159.47 138.37 10.95 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 127.55 3.031 . . . . 29.26 105.68 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TRP . . . . . 0.536 ' NE1' ' O ' ' A' ' 117' ' ' ILE . 39.9 p-90 -132.31 157.31 44.75 Favored 'General case' 0 CA--C 1.464 -2.36 0 CA-C-O 116.291 -1.814 . . . . 21.53 113.043 -176.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.254 1.4 mt -123.71 138.18 54.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 127.351 2.907 . . . . 22.91 105.051 174.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.57 108.83 13.04 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 124.264 0.978 . . . . 20.53 112.715 -174.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ARG . . . . . 0.551 ' NH2' ' OD1' ' A' ' 109' ' ' ASP 0.786 0.0 OUTLIER -95.2 135.8 36.33 Favored 'General case' 0 N--CA 1.391 -3.405 0 C-N-CA 113.978 -3.089 . . . . 41.6 115.865 -178.773 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . 0.325 0.5 OUTLIER -100.35 147.04 26.24 Favored 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.359 -1.336 . . . . 24.73 107.445 -179.761 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -74.19 135.12 42.78 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.537 1.148 . . . . 42.78 109.082 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . 0.332 16.7 m -125.07 168.83 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-O 117.782 -1.104 . . . . 50.28 109.118 176.142 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.503 4.2 t-20 -105.88 3.15 28.28 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 121.967 2.167 . . . . 90.0 114.335 176.739 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 108' ' ' ASP 0.314 0.4 OUTLIER -144.83 133.9 22.69 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 117.562 2.43 . . . . 89.28 117.562 176.335 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -20.74 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 CA-C-N 114.754 -1.112 . . . . 90.0 108.826 175.326 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 542' ' ' HOH . . . -85.91 2.15 87.79 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.498 -1.334 . . . . 32.11 112.12 -179.061 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 105' ' ' ASP . 21.2 m-20 -121.81 -3.55 9.2 Favored 'General case' 0 C--O 1.197 -1.67 0 CA-C-N 117.742 0.771 . . . . 42.27 110.803 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . 0.551 ' OD1' ' NH2' ' A' ' 100' ' ' ARG . 7.6 t70 -51.26 -37.58 47.99 Favored 'General case' 0 N--CA 1.423 -1.807 0 C-N-CA 125.152 1.381 . . . . 25.82 114.452 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TRP . . . . . 0.406 ' O ' ' CE3' ' A' ' 110' ' ' TRP . 8.9 p-90 -48.77 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.603 1.705 . . . . 32.21 115.603 -178.861 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -124.48 -2.93 7.92 Favored 'General case' 0 CA--C 1.45 -2.89 0 CA-C-O 117.934 -1.031 . . . . 71.46 110.264 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . 0.423 ' CB ' ' CZ ' ' A' ' 100' ' ' ARG . . . -58.48 -2.18 0.19 Allowed 'General case' 0 C--O 1.253 1.267 0 O-C-N 127.06 2.725 . . . . 28.19 116.419 175.821 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.0 m -143.21 126.93 17.06 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 119.228 3.047 . . . . 33.26 119.228 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.48 158.81 16.09 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 128.363 3.539 . . . . 48.68 112.344 -179.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -146.97 148.31 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.309 0 O-C-N 118.552 -2.592 . . . . 29.56 110.238 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -169.24 -169.85 33.09 Favored Glycine 0 C--N 1.365 2.17 0 O-C-N 126.138 2.149 . . . . 20.48 116.553 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ILE . . . . . 0.536 ' O ' ' NE1' ' A' ' 97' ' ' TRP . 0.3 OUTLIER -108.52 -176.83 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-O 123.435 1.588 . . . . 41.31 113.896 172.493 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -171.7 139.56 1.22 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 109.272 -3.604 . . . . 35.04 114.071 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.3 mt -112.83 127.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.039 0 CA-C-O 124.12 1.914 . . . . 36.37 110.962 176.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 120' ' ' PHE . 0.1 OUTLIER -112.19 146.52 37.96 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 113.803 -3.159 . . . . 39.83 110.664 176.276 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.55 -171.84 2.81 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 103.733 -2.691 . . . . 60.49 103.733 175.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -105.44 160.57 15.04 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 125.967 2.042 . . . . 82.81 112.587 -176.464 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 69.6 mt -103.77 154.96 18.98 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 116.794 -1.963 . . . . 73.88 108.173 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -80.13 176.83 9.4 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 123.416 0.447 . . . . 51.24 110.856 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 93.4 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.449 -0.786 . . . . 31.08 112.651 -179.294 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ARG . . . . . 0.481 ' CG ' ' N ' ' B' ' 3' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 121.968 0.889 . . . . 78.78 111.662 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' B' ' 2' ' ' ARG . 27.9 tptt -175.65 108.85 0.1 Allowed 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.802 -1.544 . . . . 90.0 110.602 -177.141 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -113.45 102.98 10.82 Favored 'General case' 0 N--CA 1.418 -2.039 0 N-CA-C 103.845 -2.65 . . . . 45.93 103.845 176.49 -149.823 -87.401 -82.882 99.486 1.975 105.297 -63.985 -161.167 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -103.43 145.51 29.89 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 118.096 -1.442 . . . . 80.74 107.311 177.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -28.47 61.69 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 112.729 -2.032 . . . . 68.94 109.676 177.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 87.1 m -63.41 131.39 48.06 Favored 'General case' 0 CA--C 1.463 -2.378 0 O-C-N 124.91 1.381 . . . . 37.85 111.795 -178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.04 -167.79 25.29 Favored Glycine 0 N--CA 1.478 1.444 0 O-C-N 124.521 1.138 . . . . 43.49 111.747 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -116.32 133.36 56.11 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 105.265 -2.124 . . . . 56.02 105.265 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -130.73 151.19 51.45 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-O 122.881 1.324 . . . . 46.27 110.682 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -118.55 -172.75 2.34 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 103.965 -2.606 . . . . 38.22 103.965 174.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASN . . . . . 0.54 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 0.0 OUTLIER -160.63 160.46 31.67 Favored 'General case' 0 N--CA 1.42 -1.946 0 O-C-N 120.485 -1.384 . . . . 57.36 111.612 -174.946 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' B' ' 13' ' ' ASP . 15.2 p-10 -48.86 -11.46 0.04 OUTLIER 'General case' 0 C--O 1.247 0.937 0 N-CA-C 121.1 3.741 . . . . 46.88 121.1 -175.336 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 mt -112.56 2.16 16.14 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 122.852 1.311 . . . . 61.53 109.485 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.94 -22.37 38.49 Favored Glycine 0 N--CA 1.405 -3.425 0 C-N-CA 115.386 -3.292 . . . . 35.0 113.049 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 36' ' ' ALA 0.303 66.7 m -58.13 159.16 6.11 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 118.027 0.914 . . . . 36.35 111.753 -178.505 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -139.53 133.12 30.39 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.272 1.582 . . . . 53.84 115.272 -177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' MET . . . . . . . . . . . . 0.394 0.4 OUTLIER -123.56 159.94 28.1 Favored 'General case' 0 CA--C 1.476 -1.871 0 C-N-CA 116.708 -1.997 . . . . 37.86 114.625 175.534 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.83 118.23 12.85 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 127.307 2.879 . . . . 49.65 106.994 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.61 142.06 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.195 0 O-C-N 126.975 2.672 . . . . 59.91 110.017 -177.298 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.58 -112.05 3.16 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 119.369 2.507 . . . . 57.57 119.369 -175.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.22 -166.71 0.76 Allowed 'General case' 0 N--CA 1.433 -1.301 0 CA-C-O 123.023 1.392 . . . . 72.28 110.359 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -170.76 98.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 100.95 -3.722 . . . . 54.75 100.95 176.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . 0.554 0.8 OUTLIER -49.32 -176.01 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 112.649 -2.069 . . . . 90.0 110.381 176.687 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -74.62 -5.02 40.62 Favored 'General case' 0 N--CA 1.422 -1.829 0 N-CA-C 103.956 -2.609 . . . . 65.53 103.956 171.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . 0.538 0.2 OUTLIER -106.93 -5.33 18.31 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 118.06 2.615 . . . . 51.41 118.06 179.835 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.29 -12.45 68.0 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 123.435 1.575 . . . . 48.04 112.145 179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.84 144.01 57.39 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 107.121 -1.437 . . . . 90.0 107.121 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' B' ' 51' ' ' GLY . 55.2 p90 -171.28 151.61 3.16 Favored 'General case' 0 CA--C 1.484 -1.562 0 O-C-N 125.618 1.824 . . . . 53.24 111.401 179.615 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.4 p -132.12 169.14 16.81 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 126.058 2.099 . . . . 52.05 110.415 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 49' ' ' LEU . . . -177.93 -163.27 29.3 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 108.283 -1.927 . . . . 44.16 108.283 -176.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 43.6 p -126.45 161.9 26.85 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.136 1.139 . . . . 51.96 111.066 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -133.26 134.36 43.85 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 127.422 3.487 . . . . 43.04 115.716 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.96 91.16 3.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 111.249 -2.705 . . . . 60.63 110.893 179.835 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' B' ' 36' ' ' ALA . 1.7 t -71.96 157.77 37.22 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-O 126.182 2.896 . . . . 30.01 110.482 179.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . 0.47 ' N ' ' OG ' ' B' ' 16' ' ' SER 0.298 . . -110.24 -6.37 15.06 Favored 'General case' 1 C--N 1.243 -4.043 0 CA-C-N 112.466 -2.152 . . . . 24.01 109.144 -177.54 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 18.2 m -152.17 157.29 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 CA-C-N 115.541 -0.754 . . . . 46.21 110.706 -172.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.3 m -143.56 154.92 44.09 Favored 'General case' 0 CA--C 1.487 -1.461 0 O-C-N 124.786 1.304 . . . . 45.68 114.181 -173.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . 0.415 ' N ' ' O12' ' B' ' 401' ' ' BTN . . . -94.5 -22.37 18.29 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 104.843 -2.28 . . . . 58.81 104.843 175.061 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.8 175.08 6.79 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 113.967 -1.469 . . . . 75.42 112.681 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.8 m -112.49 82.33 1.62 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 131.25 3.82 . . . . 84.68 108.814 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . 0.832 1.7 t30 -163.2 148.51 11.52 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.819 -1.178 . . . . 90.0 107.819 176.463 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.6 140.59 48.13 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 106.208 -1.775 . . . . 90.0 106.208 -175.921 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.93 143.9 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 CA-C-O 125.635 2.636 . . . . 49.81 111.085 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.52 136.69 33.16 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 111.702 -2.499 . . . . 76.34 107.63 179.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.9 135.18 20.28 Favored 'General case' 0 N--CA 1.42 -1.965 0 N-CA-C 104.789 -2.3 . . . . 90.0 104.789 176.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' B' ' 48' ' ' PRO 0.597 0.1 OUTLIER -118.87 150.43 48.52 Favored Pre-proline 0 C--N 1.359 0.988 0 O-C-N 125.478 1.736 . . . . 51.18 111.297 174.267 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' B' ' 47' ' ' SER . 58.0 Cg_endo -79.09 148.81 21.94 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.685 2.257 . . . . 48.98 112.639 -179.121 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 31' ' ' GLY . 1.4 pp -137.99 145.8 42.36 Favored 'General case' 0 CA--C 1.456 -2.651 0 O-C-N 124.646 1.216 . . . . 36.88 112.178 176.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.7 132.2 23.71 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 126.444 2.34 . . . . 71.65 112.817 179.066 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PHE . . . -147.53 -173.36 18.54 Favored Glycine 0 N--CA 1.418 -2.513 0 C-N-CA 118.973 -1.584 . . . . 39.39 113.275 179.798 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 5.5 p -138.2 130.29 28.61 Favored 'General case' 0 N--CA 1.427 -1.579 0 C-N-CA 126.387 1.875 . . . . 34.18 111.78 179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -99.93 127.37 46.13 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 125.967 1.707 . . . . 76.87 110.322 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -70.79 140.54 51.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.969 -1.014 . . . . 90.0 111.344 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -150.28 58.28 0.96 Allowed 'General case' 0 CA--C 1.493 -1.23 0 O-C-N 124.094 0.871 . . . . 72.39 110.326 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.42 62.89 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 O-C-N 125.711 1.882 . . . . 74.04 110.2 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 126.91 55.42 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 127.877 2.471 . . . . 90.0 111.12 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . 0.399 34.2 tptt -4.75 92.66 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 125.559 1.787 . . . . 83.67 115.526 -176.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -107.4 150.39 26.79 Favored 'General case' 0 N--CA 1.396 -3.127 0 CA-C-N 110.808 -2.905 . . . . 83.91 105.898 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . 0.251 0.8 OUTLIER -83.4 -16.07 47.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.222 -1.354 . . . . 65.26 113.95 -177.777 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -132.76 73.26 76.34 Favored Pre-proline 0 C--N 1.351 0.65 0 C-N-CA 127.421 2.289 . . . . 42.19 108.436 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . 0.396 63.0 Cg_endo -74.67 161.71 39.09 Favored 'Trans proline' 0 CA--C 1.497 -1.355 0 C-N-CA 121.8 1.667 . . . . 31.35 110.594 -179.001 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . 0.377 12.2 p -81.9 169.44 16.82 Favored 'General case' 0 C--O 1.269 2.131 0 N-CA-C 105.32 -2.104 . . . . 32.98 105.32 173.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -159.29 170.71 21.27 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 126.808 2.567 . . . . 32.73 107.652 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.27 159.41 28.83 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 107.543 -2.223 . . . . 25.16 107.543 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' B' ' 79' ' ' PHE . 31.0 p90 -164.95 148.9 8.79 Favored 'General case' 0 CA--C 1.497 -1.091 0 O-C-N 121.281 -1.129 . . . . 36.01 110.668 176.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 11.4 m -103.34 149.41 24.78 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 112.059 -2.337 . . . . 37.44 107.477 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' VAL . . . . . 0.424 ' O ' ' CG2' ' B' ' 76' ' ' THR 0.392 0.9 OUTLIER -121.01 116.07 48.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 126.399 2.312 . . . . 31.71 110.561 172.9 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -94.14 87.45 5.29 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 113.761 -1.563 . . . . 62.07 107.595 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' TRP . . . . . 0.416 ' CZ2' ' C8 ' ' B' ' 401' ' ' BTN . 72.2 m95 -52.96 129.7 31.29 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.258 1.028 . . . . 39.8 110.325 -178.391 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . 0.43 0.0 OUTLIER -83.57 -29.21 28.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.538 1.637 . . . . 90.0 114.604 -179.506 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -99.21 35.35 1.94 Allowed 'General case' 0 CA--C 1.466 -2.27 0 CA-C-N 114.257 -1.338 . . . . 66.22 112.252 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.16 156.88 3.3 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 115.343 -2.543 . . . . 54.89 113.218 -177.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.69 -20.1 59.99 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 115.919 1.822 . . . . 67.1 115.919 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -93.53 179.94 5.23 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 116.317 1.969 . . . . 34.8 116.317 -174.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' B' ' 68' ' ' VAL . 0.2 OUTLIER -140.75 147.14 38.67 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.623 -1.626 . . . . 48.88 113.688 -178.93 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' B' ' 78' ' ' VAL . 23.4 m -120.23 140.63 50.89 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.545 0.738 . . . . 39.02 112.623 174.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' VAL . . . . . 0.407 ' N ' ' CG2' ' B' ' 77' ' ' THR . 14.2 m -118.51 127.83 75.51 Favored 'Isoleucine or valine' 0 C--O 1.274 2.374 0 C-N-CA 125.35 1.46 . . . . 26.27 108.936 177.243 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' B' ' 66' ' ' PHE . 54.4 m-85 -109.94 137.82 47.18 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 125.373 1.67 . . . . 42.51 111.374 174.863 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . 0.37 0.3 OUTLIER -136.01 129.42 32.0 Favored 'General case' 0 CA--C 1.459 -2.523 0 C-N-CA 125.982 1.713 . . . . 33.24 111.517 170.676 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.6 -157.48 8.44 Favored Glycine 0 CA--C 1.543 1.802 0 CA-C-O 123.863 1.813 . . . . 20.88 115.509 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -140.92 138.91 34.19 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 123.307 1.527 . . . . 48.49 111.314 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 7.4 t -82.82 85.2 7.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 111.361 -2.654 . . . . 36.62 113.114 178.392 -161.167 -63.985 -82.882 105.297 1.975 99.486 -87.401 -149.823 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -77.86 141.15 39.3 Favored 'General case' 0 C--N 1.279 -2.468 0 O-C-N 120.023 -1.673 . . . . 48.66 115.07 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.14 112.89 30.14 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.359 0 N-CA-C 102.605 -3.109 . . . . 76.54 102.605 168.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -176.2 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.525 1.057 . . . . 58.45 112.563 179.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . 0.272 2.8 ptm180 -78.27 -26.14 47.02 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 114.179 1.177 . . . . 76.59 114.179 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.79 -10.81 60.32 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 106.139 -1.8 . . . . 90.0 106.139 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.45 1.73 83.28 Favored Glycine 0 CA--C 1.566 3.271 0 CA-C-O 125.905 2.947 . . . . 47.56 111.713 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -85.7 137.22 32.97 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 113.164 -1.518 . . . . 67.99 113.198 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 151.69 46.14 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-N 114.341 -1.299 . . . . 90.0 108.695 177.404 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 53.5 t -152.92 107.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 CA-C-N 115.74 -0.663 . . . . 41.31 111.612 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 mp -79.59 119.03 21.98 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 110.064 -0.347 . . . . 33.02 110.064 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -105.95 119.27 38.76 Favored 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 125.174 1.546 . . . . 90.0 106.989 177.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' B' ' 118' ' ' ASN 0.398 0.5 OUTLIER -139.32 170.12 16.51 Favored 'General case' 0 N--CA 1.413 -2.302 0 N-CA-C 116.692 2.108 . . . . 32.63 116.692 -164.917 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . 0.275 0.9 OUTLIER -159.53 147.0 17.02 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 115.022 -2.671 . . . . 25.22 110.351 -179.71 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TRP . . . . . . . . . . . . . 40.1 p-90 -140.01 178.26 7.39 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 123.926 1.822 . . . . 40.78 114.449 -173.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 17.6 mt -139.2 128.0 23.42 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 108.82 -3.809 . . . . 36.27 105.225 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tp -112.03 112.38 23.97 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.832 -1.544 . . . . 30.07 106.832 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.41 112.56 24.26 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 124.089 1.899 . . . . 37.79 110.769 -179.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 18.1 m -85.54 157.22 20.46 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 112.683 -2.053 . . . . 42.21 107.681 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.28 130.01 35.22 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 123.402 1.573 . . . . 41.55 112.59 177.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.63 152.54 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 119.297 -2.127 . . . . 29.24 108.574 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . 0.34 94.4 m-20 -80.04 -27.44 39.44 Favored 'General case' 0 CA--C 1.47 -2.132 0 C-N-CA 126.391 1.876 . . . . 90.0 113.772 -174.557 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASP . . . . . 0.598 ' O ' ' N ' ' B' ' 108' ' ' ASP . 24.4 t0 -138.07 116.01 11.59 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 114.625 -1.17 . . . . 75.52 113.51 -174.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -40.73 -27.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 N-CA-C 115.99 1.848 . . . . 53.04 115.99 178.388 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.41 0.41 64.26 Favored Glycine 0 N--CA 1.425 -2.075 0 N-CA-C 107.274 -2.33 . . . . 27.84 107.274 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ASP . . . . . 0.598 ' N ' ' O ' ' B' ' 105' ' ' ASP . 21.0 m-20 -109.86 4.72 21.91 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 118.233 -1.387 . . . . 68.08 112.224 -179.429 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' B' ' 111' ' ' LYS . 5.9 t70 -51.96 -53.42 41.64 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-O 123.728 1.728 . . . . 90.0 113.861 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' B' ' 109' ' ' ASP . 37.0 p-90 -38.62 -25.12 0.01 OUTLIER 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 116.357 1.984 . . . . 46.86 116.357 -177.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' B' ' 109' ' ' ASP 0.267 0.0 OUTLIER -103.61 -0.12 30.04 Favored 'General case' 0 CA--C 1.485 -1.555 0 C-N-CA 116.525 -2.07 . . . . 84.92 116.558 -179.981 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.57 3.47 18.78 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 120.046 3.35 . . . . 14.78 120.046 -178.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . 0.262 21.7 m -117.61 112.68 20.86 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.219 1.933 . . . . 40.99 116.219 -175.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -108.07 136.7 47.31 Favored 'General case' 0 C--N 1.376 1.749 0 C-N-CA 130.5 3.52 . . . . 55.95 108.597 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.2 p -123.32 144.74 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.602 0 O-C-N 125.46 1.725 . . . . 20.23 112.94 -172.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -165.3 176.62 40.91 Favored Glycine 0 CA--C 1.555 2.568 0 N-CA-C 118.919 2.328 . . . . 24.72 118.919 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.32 178.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.416 -2.127 0 CA-C-N 113.033 -1.583 . . . . 41.05 112.425 178.607 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ASN . . . . . 0.449 ' CB ' ' CG2' ' B' ' 95' ' ' THR . 3.1 m120 -178.77 139.14 0.16 Allowed 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 124.069 1.89 . . . . 35.75 112.771 179.375 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 49.7 mt -128.1 122.08 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 CA-C-N 112.868 -1.969 . . . . 38.65 109.347 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -105.74 141.14 37.68 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 125.12 1.513 . . . . 43.19 111.513 -178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.17 139.35 46.99 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 109.344 -3.571 . . . . 57.18 113.712 -179.237 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' ARG . . . . . 0.529 ' CD ' ' CD ' ' B' ' 124' ' ' ARG . 0.0 OUTLIER -60.82 139.93 57.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.718 1.247 . . . . 90.0 113.455 -178.629 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.08 -69.54 0.61 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.769 -2.308 . . . . 90.0 104.769 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ARG . . . . . 0.529 ' CD ' ' CD ' ' B' ' 122' ' ' ARG . 0.0 OUTLIER -19.85 122.44 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 111.231 -2.713 . . . . 76.35 114.047 -179.649 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.512 -1.222 . . . . 41.74 111.563 -179.837 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 600' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' BTN . . . . . 0.464 ' C8 ' ' CZ2' ' A' ' 70' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 401' ' ' BTN . . . . . 0.416 ' C8 ' ' CZ2' ' B' ' 70' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' HOH . . . . . 0.41 ' O ' ' CA ' ' A' ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 545' ' ' HOH . . . . . 0.46 ' O ' ' NH2' ' B' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 CA--C 1.486 -1.483 0 CA-C-O 122.156 0.979 . . . . 70.62 108.777 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -53.26 123.62 12.35 Favored 'General case' 0 N--CA 1.414 -2.249 0 CA-C-N 112.146 -2.297 . . . . 58.06 105.261 176.419 -131.321 -91.525 -79.95 96.617 1.935 104.26 -67.45 -171.268 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -124.91 131.67 53.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.489 0.662 . . . . 58.12 111.495 177.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' ' 29' ' ' PHE . 2.4 mt -80.04 -22.63 42.12 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.653 1.723 . . . . 81.94 115.653 -177.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . 0.623 ' OG1' ' HA ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -73.1 123.37 23.44 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 113.242 -1.799 . . . . 65.41 108.508 -176.894 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.0 -158.13 26.64 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.584 -1.189 . . . . 45.08 111.666 -174.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -124.4 116.18 22.15 Favored 'General case' 0 C--O 1.275 2.416 0 C-N-CA 125.277 1.431 . . . . 55.84 113.23 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TRP . . . . . 0.503 ' HB3' ' O ' ' A' ' 121' ' ' THR . 1.9 m95 -115.31 165.24 13.18 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 113.354 -1.748 . . . . 41.23 113.193 -179.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -132.73 148.27 52.33 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 126.893 2.621 . . . . 63.77 114.061 174.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . 0.71 ' HB3' ' H ' ' A' ' 14' ' ' LEU 0.357 0.9 OUTLIER -97.07 165.51 12.03 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 127.593 2.357 . . . . 37.16 116.872 178.483 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.9 -2.57 21.34 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 112.353 -2.203 . . . . 34.89 109.933 171.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.71 ' H ' ' HB3' ' A' ' 12' ' ' ASN . 77.7 mt -103.89 -23.11 13.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.93 -1.731 . . . . 42.19 108.168 176.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.23 2.14 24.84 Favored Glycine 0 C--O 1.207 -1.584 0 CA-C-O 119.0 -0.889 . . . . 33.27 113.571 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -65.11 155.92 33.29 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 114.372 1.249 . . . . 43.38 114.372 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' THR . 91.8 m-20 -131.29 120.3 22.99 Favored 'General case' 0 C--O 1.268 2.062 0 N-CA-C 107.185 -1.413 . . . . 79.14 107.185 -174.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' MET . . . . . 0.405 ' CE ' HD11 ' A' ' 20' ' ' ILE 0.424 0.0 OUTLIER -124.47 141.79 51.81 Favored 'General case' 0 CA--C 1.488 -1.434 0 O-C-N 127.971 3.295 . . . . 54.84 110.565 176.853 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -129.99 117.9 20.77 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 112.394 -2.185 . . . . 42.89 108.497 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.416 HD12 HG21 ' A' ' 20' ' ' ILE . 0.4 OUTLIER -108.81 141.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 112.208 -2.269 . . . . 50.93 110.482 177.241 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . 0.559 ' C ' ' HG1' ' A' ' 7' ' ' THR . . . -88.83 -159.41 35.18 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-O 125.057 2.476 . . . . 44.89 110.422 173.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HA ' ' OG1' ' A' ' 7' ' ' THR . . . -83.5 154.07 24.08 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 119.039 -2.448 . . . . 50.98 111.259 -178.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 35.5 m -95.5 156.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.409 0 CA-C-N 109.908 -3.315 . . . . 52.91 107.113 177.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . 0.541 ' HB3' ' H ' ' A' ' 26' ' ' ARG 0.375 71.3 m-20 -83.04 -141.51 0.06 Allowed 'General case' 0 CA--C 1.48 -1.739 0 N-CA-C 117.046 2.239 . . . . 71.16 117.046 -178.902 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -111.34 -29.33 7.85 Favored 'General case' 0 N--CA 1.447 -0.596 1 CA-C-N 107.145 -4.57 . . . . 72.16 107.164 175.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HB2' ' OE2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -85.59 -3.9 59.01 Favored 'General case' 0 C--O 1.261 1.705 0 O-C-N 125.419 1.7 . . . . 63.05 112.902 178.197 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . 88.54 -11.74 67.32 Favored Glycine 0 C--N 1.374 2.686 0 O-C-N 125.377 1.673 . . . . 37.05 114.891 179.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' OE2' ' HB2' ' A' ' 26' ' ' ARG . 2.5 mt-10 -65.99 142.48 57.83 Favored 'General case' 0 C--O 1.204 -1.336 0 C-N-CA 127.555 2.342 . . . . 90.0 116.426 -178.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . 0.707 ' HE2' ' HB2' ' A' ' 53' ' ' GLU . 16.4 p90 -145.63 171.42 14.73 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.409 -0.96 . . . . 72.63 108.409 177.613 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.353 69.3 p -139.41 170.27 16.23 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.197 0.998 . . . . 78.42 112.733 175.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.12 -168.89 41.64 Favored Glycine 0 CA--C 1.498 -1.018 0 C-N-CA 115.911 -3.042 . . . . 29.88 112.02 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 p -144.51 139.85 28.5 Favored 'General case' 0 CA--C 1.482 -1.639 0 O-C-N 125.399 1.293 . . . . 34.95 111.812 -176.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -113.75 140.34 48.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 O-C-N 126.084 2.115 . . . . 40.37 110.445 -175.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -127.61 93.97 3.85 Favored 'General case' 0 CA--C 1.476 -1.869 0 N-CA-C 103.652 -2.722 . . . . 53.98 103.652 177.727 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 35' ' ' THR . 14.2 t -79.96 143.76 33.89 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 124.788 1.305 . . . . 40.92 109.598 178.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.81 -6.08 25.34 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 127.184 2.193 . . . . 25.51 114.415 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -140.41 156.63 24.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 104.412 -2.44 . . . . 20.99 104.412 176.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.0 p -145.72 163.82 33.75 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 106.994 -1.484 . . . . 54.65 106.994 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.58 -17.06 11.25 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 104.015 -2.587 . . . . 43.43 104.015 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.6 147.95 25.7 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 112.872 -1.967 . . . . 51.26 110.559 176.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.7 p -96.11 65.47 2.44 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 115.758 -2.377 . . . . 58.87 106.813 -178.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 0.4 OUTLIER -137.84 146.93 44.06 Favored 'General case' 0 C--O 1.198 -1.644 0 N-CA-C 115.522 1.675 . . . . 90.0 115.522 -178.264 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 43' ' ' GLU 0.319 0.0 OUTLIER -61.95 119.65 9.27 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 116.338 -2.145 . . . . 82.73 110.007 -177.543 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.59 134.5 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.514 0 CA-C-N 112.138 -2.301 . . . . 39.85 111.885 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -145.37 133.77 21.87 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 116.627 -2.029 . . . . 90.0 115.038 173.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -34.87 112.38 0.15 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 125.319 1.448 . . . . 77.95 113.026 176.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . 0.513 ' HB3' ' HD2' ' A' ' 48' ' ' PRO . 0.7 OUTLIER -113.13 157.31 41.23 Favored Pre-proline 0 C--O 1.251 1.162 0 CA-C-O 125.196 2.427 . . . . 48.58 113.427 179.678 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 47' ' ' SER . 7.0 Cg_endo -86.0 139.39 6.3 Favored 'Trans proline' 0 C--N 1.298 -2.105 1 C-N-CA 125.562 4.175 . . . . 39.73 113.037 -179.781 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.8 pp -125.81 135.79 52.39 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.085 -1.45 . . . . 42.61 107.085 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -126.87 122.67 35.34 Favored 'General case' 0 C--O 1.263 1.81 0 C-N-CA 126.715 2.006 . . . . 90.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.31 -154.59 6.31 Favored Glycine 0 N--CA 1.428 -1.889 0 CA-C-O 127.52 3.844 . . . . 36.5 116.3 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -165.01 150.77 9.83 Favored 'General case' 0 N--CA 1.38 -3.931 0 CA-C-N 110.535 -2.833 . . . . 46.32 107.607 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . 0.707 ' HB2' ' HE2' ' A' ' 29' ' ' PHE . 8.9 tt0 -121.38 147.42 45.73 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.158 -1.383 . . . . 86.88 108.793 -177.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . 0.273 38.3 t30 -82.63 134.53 35.16 Favored 'General case' 0 C--O 1.255 1.358 0 CA-C-O 122.749 1.261 . . . . 64.71 114.04 -178.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.95 -15.69 13.27 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-N 112.722 -2.036 . . . . 69.99 112.293 -174.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.62 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 CA-C-N 114.287 -1.324 . . . . 51.11 109.795 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 77.02 131.41 0.05 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.583 -2.099 . . . . 90.0 109.94 -178.28 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.75 83.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.025 0.917 . . . . 90.0 109.862 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 124.97 35.16 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 107.34 -1.356 . . . . 82.96 107.34 177.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -3.56 16.34 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.906 -1.118 . . . . 62.81 108.674 -179.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 521' ' ' HOH . 24.6 mt-30 -143.62 74.15 16.92 Favored Pre-proline 0 N--CA 1.436 -1.162 0 N-CA-C 114.301 1.223 . . . . 52.15 114.301 179.368 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 83' ' ' CYS . 73.0 Cg_endo -69.43 164.06 35.65 Favored 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 125.001 3.801 . . . . 41.16 116.592 -179.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.2 p -97.17 142.11 29.48 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 110.138 -3.21 . . . . 63.96 108.588 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CZ ' HG22 ' A' ' 95' ' ' THR . 17.6 p90 -143.53 163.35 33.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-O 123.917 1.818 . . . . 45.39 110.606 -177.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . 0.574 ' HA2' ' O ' ' A' ' 79' ' ' PHE . . . -159.28 149.89 20.04 Favored Glycine 0 C--N 1.298 -1.581 0 CA-C-N 113.043 -1.89 . . . . 36.64 109.541 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -160.11 160.21 32.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 104.147 -2.538 . . . . 34.24 104.147 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . 0.552 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 27.0 m -113.74 141.93 46.67 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 129.038 3.961 . . . . 21.77 113.494 179.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . 0.529 ' N ' HG22 ' A' ' 67' ' ' THR . 58.0 t -112.56 118.22 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 116.854 -1.938 . . . . 25.18 111.361 175.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 47' ' ' SER . 51.4 t-20 -90.88 98.46 11.79 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 105.466 -2.05 . . . . 73.18 105.466 174.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' TRP . . . . . 0.754 ' CZ2' ' H81' ' A' ' 400' ' ' BTN . 6.7 m95 -64.27 134.42 54.69 Favored 'General case' 0 N--CA 1.421 -1.903 0 O-C-N 125.519 1.762 . . . . 45.33 107.558 -175.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 71' ' ' LYS 0.279 0.0 OUTLIER -89.36 -20.76 23.61 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 123.783 1.754 . . . . 75.68 112.641 -177.241 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 22.1 p90 -105.77 2.07 27.56 Favored 'General case' 0 C--N 1.269 -2.905 0 CA-C-N 114.026 -1.443 . . . . 33.33 114.332 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . 0.59 ' C ' ' H ' ' A' ' 75' ' ' SER . 67.6 p -139.87 155.64 47.11 Favored 'General case' 0 CA--C 1.463 -2.368 0 CA-C-N 122.078 2.217 . . . . 28.46 113.473 178.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.56 6.08 2.06 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 117.443 -1.703 . . . . 57.14 107.905 177.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 73' ' ' SER . 6.1 t -84.46 147.92 26.84 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.9 2.926 . . . . 48.18 118.9 -176.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.29 0.2 OUTLIER -121.63 134.45 54.99 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.088 1.755 . . . . 47.96 115.072 175.278 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . 0.649 ' HG1' ' HE1' ' A' ' 70' ' ' TRP . 27.9 m -118.89 143.86 46.74 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 123.734 1.73 . . . . 32.32 113.87 174.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.54 138.61 54.18 Favored 'Isoleucine or valine' 0 C--O 1.271 2.215 0 CA-C-N 114.395 -1.275 . . . . 26.81 110.22 177.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 9.8 m-85 -125.3 140.85 52.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 124.353 2.025 . . . . 53.83 113.075 176.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.366 12.8 t -139.6 147.55 41.27 Favored 'General case' 0 N--CA 1.408 -2.558 0 CA-C-N 112.478 -2.146 . . . . 35.29 110.204 172.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.48 -168.08 38.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 118.758 -1.687 . . . . 32.31 112.401 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 62' ' ' PRO . 40.9 tt0 -135.84 140.35 44.11 Favored 'General case' 0 C--O 1.275 2.401 0 CA-C-O 123.6 1.667 . . . . 49.47 111.567 -178.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' CYS . . . . . 0.416 ' C ' ' SG ' ' A' ' 4' ' ' CYS . 35.4 t -89.41 123.1 33.25 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 112.605 -2.089 . . . . 47.86 107.173 178.683 -171.268 -67.45 -79.95 104.26 1.935 96.617 -91.525 -131.321 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.26 147.97 42.9 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 124.781 2.229 . . . . 42.26 113.927 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.98 102.47 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 113.319 -1.764 . . . . 76.54 108.725 179.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' A' ' 90' ' ' LYS . 1.6 t0 -55.49 177.55 0.05 OUTLIER 'General case' 0 C--O 1.269 2.092 0 CA-C-N 112.441 -2.163 . . . . 90.0 113.811 179.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -82.19 -29.01 31.7 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 111.535 -2.575 . . . . 65.53 107.083 176.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -69.55 -11.81 61.14 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-O 122.451 1.119 . . . . 90.0 108.069 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.68 1.06 74.52 Favored Glycine 0 C--O 1.257 1.576 0 O-C-N 120.415 -1.428 . . . . 66.57 109.842 -175.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 1.3 ptmt -91.68 140.57 29.58 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 118.067 2.617 . . . . 67.4 118.067 -177.009 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' CD ' ' NH1' ' A' ' 122' ' ' ARG . 1.3 mt-10 -67.02 149.54 50.48 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 116.329 1.974 . . . . 90.0 116.329 176.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.56 109.13 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 124.904 2.288 . . . . 51.81 115.557 -178.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' HG ' ' CZ ' ' A' ' 64' ' ' PHE 0.26 1.1 mp -84.29 118.99 24.54 Favored 'General case' 0 N--CA 1.409 -2.5 0 C-N-CA 116.174 -2.21 . . . . 40.65 109.509 172.979 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.2 103.71 13.3 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 105.052 -2.203 . . . . 42.02 105.052 173.103 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' THR . . . . . 0.529 HG22 ' CZ ' ' A' ' 64' ' ' PHE . 39.2 p -113.39 -175.84 2.76 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.014 -0.993 . . . . 41.79 111.405 -176.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ttt -159.47 138.37 10.95 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 127.55 3.031 . . . . 29.26 105.68 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 39.9 p-90 -132.31 157.31 44.75 Favored 'General case' 0 CA--C 1.464 -2.36 0 CA-C-O 116.291 -1.814 . . . . 21.53 113.043 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.254 1.4 mt -123.71 138.18 54.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 127.351 2.907 . . . . 22.91 105.051 174.003 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.57 108.83 13.04 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 124.264 0.978 . . . . 20.53 112.715 -174.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ARG . . . . . 0.424 ' CZ ' ' HB1' ' A' ' 112' ' ' ALA 0.786 0.0 OUTLIER -95.2 135.8 36.33 Favored 'General case' 0 N--CA 1.391 -3.405 0 C-N-CA 113.978 -3.089 . . . . 41.6 115.865 -178.773 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 100' ' ' ARG 0.325 0.5 OUTLIER -100.35 147.04 26.24 Favored 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.359 -1.336 . . . . 24.73 107.445 -179.761 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -74.19 135.12 42.78 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.537 1.148 . . . . 42.78 109.082 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . 0.332 16.7 m -125.07 168.83 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-O 117.782 -1.104 . . . . 50.28 109.118 176.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.503 4.2 t-20 -105.88 3.15 28.28 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 121.967 2.167 . . . . 90.0 114.335 176.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 107' ' ' GLY 0.314 0.4 OUTLIER -144.83 133.9 22.69 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 117.562 2.43 . . . . 89.28 117.562 176.335 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' H ' HG12 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -51.98 -20.74 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 CA-C-N 114.754 -1.112 . . . . 90.0 108.826 175.326 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 542' ' ' HOH . . . -85.91 2.15 87.79 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.498 -1.334 . . . . 32.11 112.12 -179.061 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -121.81 -3.55 9.2 Favored 'General case' 0 C--O 1.197 -1.67 0 CA-C-N 117.742 0.771 . . . . 42.27 110.803 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' OD1' ' NH2' ' A' ' 100' ' ' ARG . 7.6 t70 -51.26 -37.58 47.99 Favored 'General case' 0 N--CA 1.423 -1.807 0 C-N-CA 125.152 1.381 . . . . 25.82 114.452 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TRP . . . . . 0.428 ' O ' ' HE3' ' A' ' 110' ' ' TRP . 8.9 p-90 -48.77 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.603 1.705 . . . . 32.21 115.603 -178.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -124.48 -2.93 7.92 Favored 'General case' 0 CA--C 1.45 -2.89 0 CA-C-O 117.934 -1.031 . . . . 71.46 110.264 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . 0.424 ' HB1' ' CZ ' ' A' ' 100' ' ' ARG . . . -58.48 -2.18 0.19 Allowed 'General case' 0 C--O 1.253 1.267 0 O-C-N 127.06 2.725 . . . . 28.19 116.419 175.821 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.0 m -143.21 126.93 17.06 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 119.228 3.047 . . . . 33.26 119.228 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.48 158.81 16.09 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 128.363 3.539 . . . . 48.68 112.344 -179.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -146.97 148.31 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.309 0 O-C-N 118.552 -2.592 . . . . 29.56 110.238 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -169.24 -169.85 33.09 Favored Glycine 0 C--N 1.365 2.17 0 O-C-N 126.138 2.149 . . . . 20.48 116.553 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ILE . . . . . 0.472 HD12 HG21 ' A' ' 117' ' ' ILE . 0.3 OUTLIER -108.52 -176.83 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-O 123.435 1.588 . . . . 41.31 113.896 172.493 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . 0.463 ' H ' ' HB ' ' A' ' 117' ' ' ILE . 2.3 m120 -171.7 139.56 1.22 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 109.272 -3.604 . . . . 35.04 114.071 174.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 7.3 mt -112.83 127.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.039 0 CA-C-O 124.12 1.914 . . . . 36.37 110.962 176.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PHE . . . . . 0.599 ' CE2' ' ND2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -112.19 146.52 37.96 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 113.803 -3.159 . . . . 39.83 110.664 176.276 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 121' ' ' THR . . . . . 0.503 ' O ' ' HB3' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -133.55 -171.84 2.81 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 103.733 -2.691 . . . . 60.49 103.733 175.916 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -105.44 160.57 15.04 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 125.967 2.042 . . . . 82.81 112.587 -176.464 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 69.6 mt -103.77 154.96 18.98 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 116.794 -1.963 . . . . 73.88 108.173 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -80.13 176.83 9.4 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 123.416 0.447 . . . . 51.24 110.856 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 93.4 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.449 -0.786 . . . . 31.08 112.651 -179.294 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ARG . . . . . 0.698 ' HG3' ' H ' ' B' ' 3' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 121.968 0.889 . . . . 78.78 111.662 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.698 ' H ' ' HG3' ' B' ' 2' ' ' ARG . 27.9 tptt -175.65 108.85 0.1 Allowed 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.802 -1.544 . . . . 90.0 110.602 -177.141 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . 0.544 ' SG ' ' HG2' ' B' ' 91' ' ' GLU . 1.8 t -113.45 102.98 10.82 Favored 'General case' 0 N--CA 1.418 -2.039 0 N-CA-C 103.845 -2.65 . . . . 45.93 103.845 176.49 -149.823 -87.401 -82.882 99.486 1.975 105.297 -63.985 -161.167 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -103.43 145.51 29.89 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 118.096 -1.442 . . . . 80.74 107.311 177.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 6' ' ' LEU . 0.4 OUTLIER -73.77 -28.47 61.69 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 112.729 -2.032 . . . . 68.94 109.676 177.582 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . 0.445 HG23 ' O ' ' B' ' 21' ' ' GLY . 87.1 m -63.41 131.39 48.06 Favored 'General case' 0 CA--C 1.463 -2.378 0 O-C-N 124.91 1.381 . . . . 37.85 111.795 -178.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.04 -167.79 25.29 Favored Glycine 0 N--CA 1.478 1.444 0 O-C-N 124.521 1.138 . . . . 43.49 111.747 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . 0.47 ' HB3' HD12 ' B' ' 123' ' ' LEU . 68.8 mttt -116.32 133.36 56.11 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 105.265 -2.124 . . . . 56.02 105.265 179.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' TRP . . . . . 0.643 ' CZ3' HD13 ' B' ' 93' ' ' LEU . 7.0 m95 -130.73 151.19 51.45 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-O 122.881 1.324 . . . . 46.27 110.682 -178.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -118.55 -172.75 2.34 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 103.965 -2.606 . . . . 38.22 103.965 174.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASN . . . . . 0.54 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 0.0 OUTLIER -160.63 160.46 31.67 Favored 'General case' 0 N--CA 1.42 -1.946 0 O-C-N 120.485 -1.384 . . . . 57.36 111.612 -174.946 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' B' ' 13' ' ' ASP . 15.2 p-10 -48.86 -11.46 0.04 OUTLIER 'General case' 0 C--O 1.247 0.937 0 N-CA-C 121.1 3.741 . . . . 46.88 121.1 -175.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 mt -112.56 2.16 16.14 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 122.852 1.311 . . . . 61.53 109.485 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.94 -22.37 38.49 Favored Glycine 0 N--CA 1.405 -3.425 0 C-N-CA 115.386 -3.292 . . . . 35.0 113.049 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 36' ' ' ALA 0.303 66.7 m -58.13 159.16 6.11 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 118.027 0.914 . . . . 36.35 111.753 -178.505 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -139.53 133.12 30.39 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.272 1.582 . . . . 53.84 115.272 -177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' MET . . . . . 0.56 ' HG2' ' HE2' ' B' ' 120' ' ' PHE 0.394 0.4 OUTLIER -123.56 159.94 28.1 Favored 'General case' 0 CA--C 1.476 -1.871 0 C-N-CA 116.708 -1.997 . . . . 37.86 114.625 175.534 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.83 118.23 12.85 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 127.307 2.879 . . . . 49.65 106.994 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.61 142.06 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.195 0 O-C-N 126.975 2.672 . . . . 59.91 110.017 -177.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . 0.445 ' O ' HG23 ' B' ' 7' ' ' THR . . . -98.58 -112.05 3.16 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 119.369 2.507 . . . . 57.57 119.369 -175.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.22 -166.71 0.76 Allowed 'General case' 0 N--CA 1.433 -1.301 0 CA-C-O 123.023 1.392 . . . . 72.28 110.359 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -170.76 98.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 100.95 -3.722 . . . . 54.75 100.95 176.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASN . . . . . 0.943 ' HB3' ' H ' ' B' ' 26' ' ' ARG 0.554 7.0 m-20 -49.32 -176.01 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 112.649 -2.069 . . . . 90.0 110.381 176.687 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -74.62 -5.02 40.62 Favored 'General case' 0 N--CA 1.422 -1.829 0 N-CA-C 103.956 -2.609 . . . . 65.53 103.956 171.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ARG . . . . . 0.943 ' H ' ' HB3' ' B' ' 24' ' ' ASN 0.538 0.2 OUTLIER -106.93 -5.33 18.31 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 118.06 2.615 . . . . 51.41 118.06 179.835 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLY . . . . . 0.525 ' O ' ' HD1' ' B' ' 29' ' ' PHE . . . 90.29 -12.45 68.0 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 123.435 1.575 . . . . 48.04 112.145 179.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' B' ' 52' ' ' THR . 4.3 mt-10 -63.84 144.01 57.39 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 107.121 -1.437 . . . . 90.0 107.121 -179.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . 0.525 ' HD1' ' O ' ' B' ' 27' ' ' GLY . 55.2 p90 -171.28 151.61 3.16 Favored 'General case' 0 CA--C 1.484 -1.562 0 O-C-N 125.618 1.824 . . . . 53.24 111.401 179.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . 0.481 HG22 ' CB ' ' B' ' 50' ' ' HIS . 22.4 p -132.12 169.14 16.81 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 126.058 2.099 . . . . 52.05 110.415 -179.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.93 -163.27 29.3 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 108.283 -1.927 . . . . 44.16 108.283 -176.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 43.6 p -126.45 161.9 26.85 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.136 1.139 . . . . 51.96 111.066 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -133.26 134.36 43.85 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 127.422 3.487 . . . . 43.04 115.716 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.96 91.16 3.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 111.249 -2.705 . . . . 60.63 110.893 179.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' B' ' 36' ' ' ALA . 1.7 t -71.96 157.77 37.22 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-O 126.182 2.896 . . . . 30.01 110.482 179.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . 0.47 ' N ' ' OG ' ' B' ' 16' ' ' SER 0.298 . . -110.24 -6.37 15.06 Favored 'General case' 1 C--N 1.243 -4.043 0 CA-C-N 112.466 -2.152 . . . . 24.01 109.144 -177.54 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 37' ' ' VAL . . . . . 0.421 HG13 ' C ' ' B' ' 36' ' ' ALA . 18.2 m -152.17 157.29 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 CA-C-N 115.541 -0.754 . . . . 46.21 110.706 -172.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.3 m -143.56 154.92 44.09 Favored 'General case' 0 CA--C 1.487 -1.461 0 O-C-N 124.786 1.304 . . . . 45.68 114.181 -173.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.5 -22.37 18.29 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 104.843 -2.28 . . . . 58.81 104.843 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.8 175.08 6.79 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 113.967 -1.469 . . . . 75.42 112.681 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.8 m -112.49 82.33 1.62 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 131.25 3.82 . . . . 84.68 108.814 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . 0.832 1.7 t30 -163.2 148.51 11.52 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.819 -1.178 . . . . 90.0 107.819 176.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.6 140.59 48.13 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 106.208 -1.775 . . . . 90.0 106.208 -175.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.93 143.9 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 CA-C-O 125.635 2.636 . . . . 49.81 111.085 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . 0.921 ' HE2' ' HA ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -140.52 136.69 33.16 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 111.702 -2.499 . . . . 76.34 107.63 179.751 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.9 135.18 20.28 Favored 'General case' 0 N--CA 1.42 -1.965 0 N-CA-C 104.789 -2.3 . . . . 90.0 104.789 176.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' SER . . . . . 0.546 ' HB3' ' HD2' ' B' ' 48' ' ' PRO 0.597 0.1 OUTLIER -118.87 150.43 48.52 Favored Pre-proline 0 C--N 1.359 0.988 0 O-C-N 125.478 1.736 . . . . 51.18 111.297 174.267 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' B' ' 69' ' ' ASN . 58.0 Cg_endo -79.09 148.81 21.94 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.685 2.257 . . . . 48.98 112.639 -179.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' LEU . . . . . 0.487 ' C ' HD12 ' B' ' 49' ' ' LEU . 1.4 pp -137.99 145.8 42.36 Favored 'General case' 0 CA--C 1.456 -2.651 0 O-C-N 124.646 1.216 . . . . 36.88 112.178 176.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HIS . . . . . 0.481 ' CB ' HG22 ' B' ' 30' ' ' THR . 0.1 OUTLIER -142.7 132.2 23.71 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 126.444 2.34 . . . . 71.65 112.817 179.066 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.53 -173.36 18.54 Favored Glycine 0 N--CA 1.418 -2.513 0 C-N-CA 118.973 -1.584 . . . . 39.39 113.275 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' B' ' 28' ' ' GLU . 5.5 p -138.2 130.29 28.61 Favored 'General case' 0 N--CA 1.427 -1.579 0 C-N-CA 126.387 1.875 . . . . 34.18 111.78 179.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -99.93 127.37 46.13 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 125.967 1.707 . . . . 76.87 110.322 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -70.79 140.54 51.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.969 -1.014 . . . . 90.0 111.344 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -150.28 58.28 0.96 Allowed 'General case' 0 CA--C 1.493 -1.23 0 O-C-N 124.094 0.871 . . . . 72.39 110.326 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.42 62.89 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 O-C-N 125.711 1.882 . . . . 74.04 110.2 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 126.91 55.42 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 127.877 2.471 . . . . 90.0 111.12 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . 0.399 34.2 tptt -4.75 92.66 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 125.559 1.787 . . . . 83.67 115.526 -176.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -107.4 150.39 26.79 Favored 'General case' 0 N--CA 1.396 -3.127 0 CA-C-N 110.808 -2.905 . . . . 83.91 105.898 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . 0.251 0.8 OUTLIER -83.4 -16.07 47.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.222 -1.354 . . . . 65.26 113.95 -177.777 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLN . . . . . 0.575 ' HB3' ' O ' ' B' ' 83' ' ' CYS . 5.3 mt-30 -132.76 73.26 76.34 Favored Pre-proline 0 C--N 1.351 0.65 0 C-N-CA 127.421 2.289 . . . . 42.19 108.436 176.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' B' ' 83' ' ' CYS 0.396 63.0 Cg_endo -74.67 161.71 39.09 Favored 'Trans proline' 0 CA--C 1.497 -1.355 0 C-N-CA 121.8 1.667 . . . . 31.35 110.594 -179.001 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . 0.377 12.2 p -81.9 169.44 16.82 Favored 'General case' 0 C--O 1.269 2.131 0 N-CA-C 105.32 -2.104 . . . . 32.98 105.32 173.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -159.29 170.71 21.27 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 126.808 2.567 . . . . 32.73 107.652 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.27 159.41 28.83 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 107.543 -2.223 . . . . 25.16 107.543 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' B' ' 79' ' ' PHE . 31.0 p90 -164.95 148.9 8.79 Favored 'General case' 0 CA--C 1.497 -1.091 0 O-C-N 121.281 -1.129 . . . . 36.01 110.668 176.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 11.4 m -103.34 149.41 24.78 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 112.059 -2.337 . . . . 37.44 107.477 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' VAL . . . . . 0.475 ' O ' HG22 ' B' ' 76' ' ' THR 0.392 0.9 OUTLIER -121.01 116.07 48.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 126.399 2.312 . . . . 31.71 110.561 172.9 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASN . . . . . 0.576 ' O ' ' HD2' ' B' ' 48' ' ' PRO . 42.2 t30 -94.14 87.45 5.29 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 113.761 -1.563 . . . . 62.07 107.595 179.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' TRP . . . . . 0.672 ' CZ2' ' H81' ' B' ' 401' ' ' BTN . 72.2 m95 -52.96 129.7 31.29 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.258 1.028 . . . . 39.8 110.325 -178.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' B' ' 71' ' ' LYS 0.43 0.0 OUTLIER -83.57 -29.21 28.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.538 1.637 . . . . 90.0 114.604 -179.506 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -99.21 35.35 1.94 Allowed 'General case' 0 CA--C 1.466 -2.27 0 CA-C-N 114.257 -1.338 . . . . 66.22 112.252 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.16 156.88 3.3 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 115.343 -2.543 . . . . 54.89 113.218 -177.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.69 -20.1 59.99 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 115.919 1.822 . . . . 67.1 115.919 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . 0.799 ' HB2' ' O ' ' B' ' 100' ' ' ARG . 1.4 p -93.53 179.94 5.23 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 116.317 1.969 . . . . 34.8 116.317 -174.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' THR . . . . . 0.475 HG22 ' O ' ' B' ' 68' ' ' VAL . 0.2 OUTLIER -140.75 147.14 38.67 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.623 -1.626 . . . . 48.88 113.688 -178.93 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 77' ' ' THR . . . . . 0.534 HG22 ' N ' ' B' ' 78' ' ' VAL . 23.4 m -120.23 140.63 50.89 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.545 0.738 . . . . 39.02 112.623 174.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' VAL . . . . . 0.534 ' N ' HG22 ' B' ' 77' ' ' THR . 14.2 m -118.51 127.83 75.51 Favored 'Isoleucine or valine' 0 C--O 1.274 2.374 0 C-N-CA 125.35 1.46 . . . . 26.27 108.936 177.243 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' B' ' 66' ' ' PHE . 54.4 m-85 -109.94 137.82 47.18 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 125.373 1.67 . . . . 42.51 111.374 174.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . 0.37 0.3 OUTLIER -136.01 129.42 32.0 Favored 'General case' 0 CA--C 1.459 -2.523 0 C-N-CA 125.982 1.713 . . . . 33.24 111.517 170.676 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.6 -157.48 8.44 Favored Glycine 0 CA--C 1.543 1.802 0 CA-C-O 123.863 1.813 . . . . 20.88 115.509 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -140.92 138.91 34.19 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 123.307 1.527 . . . . 48.49 111.314 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' CYS . . . . . 0.575 ' O ' ' HB3' ' B' ' 61' ' ' GLN . 7.4 t -82.82 85.2 7.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 111.361 -2.654 . . . . 36.62 113.114 178.392 -161.167 -63.985 -82.882 105.297 1.975 99.486 -87.401 -149.823 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -77.86 141.15 39.3 Favored 'General case' 0 C--N 1.279 -2.468 0 O-C-N 120.023 -1.673 . . . . 48.66 115.07 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.14 112.89 30.14 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.359 0 N-CA-C 102.605 -3.109 . . . . 76.54 102.605 168.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ASP . . . . . 0.519 ' HB2' ' O ' ' B' ' 90' ' ' LYS . 0.1 OUTLIER -70.01 -176.2 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.525 1.057 . . . . 58.45 112.563 179.815 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . 0.272 2.8 ptm180 -78.27 -26.14 47.02 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 114.179 1.177 . . . . 76.59 114.179 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.79 -10.81 60.32 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 106.139 -1.8 . . . . 90.0 106.139 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.45 1.73 83.28 Favored Glycine 0 CA--C 1.566 3.271 0 CA-C-O 125.905 2.947 . . . . 47.56 111.713 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' B' ' 86' ' ' ASP . 1.6 mmmt -85.7 137.22 32.97 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 113.164 -1.518 . . . . 67.99 113.198 -179.553 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLU . . . . . 0.544 ' HG2' ' SG ' ' B' ' 4' ' ' CYS . 0.2 OUTLIER -69.06 151.69 46.14 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-N 114.341 -1.299 . . . . 90.0 108.695 177.404 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 92' ' ' VAL . . . . . 0.496 HG21 ' OD1' ' B' ' 86' ' ' ASP . 53.5 t -152.92 107.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 CA-C-N 115.74 -0.663 . . . . 41.31 111.612 -179.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LEU . . . . . 0.744 ' HB2' ' HB2' ' B' ' 120' ' ' PHE . 7.2 mp -79.59 119.03 21.98 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 110.064 -0.347 . . . . 33.02 110.064 177.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -105.95 119.27 38.76 Favored 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 125.174 1.546 . . . . 90.0 106.989 177.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' THR . . . . . 0.618 ' CG2' ' HB2' ' B' ' 118' ' ' ASN 0.398 0.5 OUTLIER -139.32 170.12 16.51 Favored 'General case' 0 N--CA 1.413 -2.302 0 N-CA-C 116.692 2.108 . . . . 32.63 116.692 -164.917 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 96' ' ' MET . . . . . 0.505 ' N ' HG23 ' B' ' 95' ' ' THR 0.275 0.9 OUTLIER -159.53 147.0 17.02 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 115.022 -2.671 . . . . 25.22 110.351 -179.71 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TRP . . . . . 0.633 ' CZ2' ' HA3' ' B' ' 116' ' ' GLY . 40.1 p-90 -140.01 178.26 7.39 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 123.926 1.822 . . . . 40.78 114.449 -173.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 17.6 mt -139.2 128.0 23.42 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 108.82 -3.809 . . . . 36.27 105.225 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tp -112.03 112.38 23.97 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.832 -1.544 . . . . 30.07 106.832 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ARG . . . . . 0.799 ' O ' ' HB2' ' B' ' 75' ' ' SER . 0.1 OUTLIER -96.41 112.56 24.26 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 124.089 1.899 . . . . 37.79 110.769 -179.699 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SER . . . . . 0.723 ' O ' ' HD2' ' B' ' 100' ' ' ARG . 18.1 m -85.54 157.22 20.46 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 112.683 -2.053 . . . . 42.21 107.681 179.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.28 130.01 35.22 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 123.402 1.573 . . . . 41.55 112.59 177.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.63 152.54 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 119.297 -2.127 . . . . 29.24 108.574 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . 0.34 94.4 m-20 -80.04 -27.44 39.44 Favored 'General case' 0 CA--C 1.47 -2.132 0 C-N-CA 126.391 1.876 . . . . 90.0 113.772 -174.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' B' ' 108' ' ' ASP . 24.4 t0 -138.07 116.01 11.59 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 114.625 -1.17 . . . . 75.52 113.51 -174.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ILE . . . . . 0.422 ' C ' ' H ' ' B' ' 108' ' ' ASP . 0.0 OUTLIER -40.73 -27.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 N-CA-C 115.99 1.848 . . . . 53.04 115.99 178.388 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.41 0.41 64.26 Favored Glycine 0 N--CA 1.425 -2.075 0 N-CA-C 107.274 -2.33 . . . . 27.84 107.274 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' B' ' 105' ' ' ASP . 21.0 m-20 -109.86 4.72 21.91 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 118.233 -1.387 . . . . 68.08 112.224 -179.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' B' ' 111' ' ' LYS . 5.9 t70 -51.96 -53.42 41.64 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-O 123.728 1.728 . . . . 90.0 113.861 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 110' ' ' TRP . . . . . 0.593 ' CZ2' ' HE3' ' B' ' 111' ' ' LYS . 37.0 p-90 -38.62 -25.12 0.01 OUTLIER 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 116.357 1.984 . . . . 46.86 116.357 -177.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LYS . . . . . 0.593 ' HE3' ' CZ2' ' B' ' 110' ' ' TRP 0.267 0.0 OUTLIER -103.61 -0.12 30.04 Favored 'General case' 0 CA--C 1.485 -1.555 0 C-N-CA 116.525 -2.07 . . . . 84.92 116.558 -179.981 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.57 3.47 18.78 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 120.046 3.35 . . . . 14.78 120.046 -178.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . 0.262 21.7 m -117.61 112.68 20.86 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.219 1.933 . . . . 40.99 116.219 -175.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -108.07 136.7 47.31 Favored 'General case' 0 C--N 1.376 1.749 0 C-N-CA 130.5 3.52 . . . . 55.95 108.597 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.2 p -123.32 144.74 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.602 0 O-C-N 125.46 1.725 . . . . 20.23 112.94 -172.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLY . . . . . 0.633 ' HA3' ' CZ2' ' B' ' 97' ' ' TRP . . . -165.3 176.62 40.91 Favored Glycine 0 CA--C 1.555 2.568 0 N-CA-C 118.919 2.328 . . . . 24.72 118.919 -179.086 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ILE . . . . . 0.465 HG23 ' N ' ' B' ' 118' ' ' ASN . 0.0 OUTLIER -107.32 178.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.416 -2.127 0 CA-C-N 113.033 -1.583 . . . . 41.05 112.425 178.607 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ASN . . . . . 0.618 ' HB2' ' CG2' ' B' ' 95' ' ' THR . 3.1 m120 -178.77 139.14 0.16 Allowed 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 124.069 1.89 . . . . 35.75 112.771 179.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 49.7 mt -128.1 122.08 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 CA-C-N 112.868 -1.969 . . . . 38.65 109.347 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' PHE . . . . . 0.744 ' HB2' ' HB2' ' B' ' 93' ' ' LEU . 55.1 m-85 -105.74 141.14 37.68 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 125.12 1.513 . . . . 43.19 111.513 -178.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.17 139.35 46.99 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 109.344 -3.571 . . . . 57.18 113.712 -179.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 122' ' ' ARG . . . . . 0.651 ' HD2' ' CD ' ' B' ' 124' ' ' ARG . 0.0 OUTLIER -60.82 139.93 57.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.718 1.247 . . . . 90.0 113.455 -178.629 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 123' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' B' ' 9' ' ' LYS . 1.4 mt -82.08 -69.54 0.61 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.769 -2.308 . . . . 90.0 104.769 178.218 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ARG . . . . . 0.651 ' CD ' ' HD2' ' B' ' 122' ' ' ARG . 0.0 OUTLIER -19.85 122.44 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 111.231 -2.713 . . . . 76.35 114.047 -179.649 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.512 -1.222 . . . . 41.74 111.563 -179.837 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 600' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 400' ' ' BTN . . . . . 0.754 ' H81' ' CZ2' ' A' ' 70' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 401' ' ' BTN . . . . . 0.672 ' H81' ' CZ2' ' B' ' 70' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . 0.57 ' O ' ' HB2' ' A' ' 61' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 542' ' ' HOH . . . . . 0.478 ' O ' ' HA3' ' A' ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 545' ' ' HOH . . . . . 0.46 ' O ' ' NH2' ' B' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 tptt . . . . . 0 CA--C 1.486 -1.483 0 CA-C-O 122.156 0.979 . . . . 70.62 108.777 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -53.26 123.62 12.35 Favored 'General case' 0 N--CA 1.414 -2.249 0 CA-C-N 112.146 -2.297 . . . . 58.06 105.261 176.419 -131.321 -91.525 -79.95 96.617 1.935 104.26 -67.45 -171.268 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -124.91 131.67 53.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.489 0.662 . . . . 58.12 111.495 177.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' A' ' 29' ' ' PHE . 2.4 mt -80.04 -22.63 42.12 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 115.653 1.723 . . . . 81.94 115.653 -177.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . 0.623 ' OG1' ' HA ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -73.1 123.37 23.44 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 113.242 -1.799 . . . . 65.41 108.508 -176.894 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 142.0 -158.13 26.64 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.584 -1.189 . . . . 45.08 111.666 -174.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -124.4 116.18 22.15 Favored 'General case' 0 C--O 1.275 2.416 0 C-N-CA 125.277 1.431 . . . . 55.84 113.23 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.503 ' HB3' ' O ' ' A' ' 121' ' ' THR . 1.9 m95 -115.31 165.24 13.18 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 113.354 -1.748 . . . . 41.23 113.193 -179.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -132.73 148.27 52.33 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 126.893 2.621 . . . . 63.77 114.061 174.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.71 ' HB3' ' H ' ' A' ' 14' ' ' LEU 0.357 12.1 m-20 -97.07 165.51 12.03 Favored 'General case' 0 C--O 1.247 0.93 0 C-N-CA 127.593 2.357 . . . . 37.16 116.872 178.483 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -72.9 -2.57 21.34 Favored 'General case' 0 CA--C 1.577 2.005 0 CA-C-N 112.353 -2.203 . . . . 34.89 109.933 171.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.71 ' H ' ' HB3' ' A' ' 12' ' ' ASN . 77.7 mt -103.89 -23.11 13.4 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 119.93 -1.731 . . . . 42.19 108.168 176.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.23 2.14 24.84 Favored Glycine 0 C--O 1.207 -1.584 0 CA-C-O 119.0 -0.889 . . . . 33.27 113.571 178.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -65.11 155.92 33.29 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 114.372 1.249 . . . . 43.38 114.372 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' THR . 91.8 m-20 -131.29 120.3 22.99 Favored 'General case' 0 C--O 1.268 2.062 0 N-CA-C 107.185 -1.413 . . . . 79.14 107.185 -174.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' MET . . . . . 0.405 ' CE ' HD11 ' A' ' 20' ' ' ILE 0.424 0.0 OUTLIER -124.47 141.79 51.81 Favored 'General case' 0 CA--C 1.488 -1.434 0 O-C-N 127.971 3.295 . . . . 54.84 110.565 176.853 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -129.99 117.9 20.77 Favored 'General case' 0 N--CA 1.402 -2.872 0 CA-C-N 112.394 -2.185 . . . . 42.89 108.497 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.416 HD12 HG21 ' A' ' 20' ' ' ILE . 0.4 OUTLIER -108.81 141.52 23.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 112.208 -2.269 . . . . 50.93 110.482 177.241 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.559 ' C ' ' HG1' ' A' ' 7' ' ' THR . . . -88.83 -159.41 35.18 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-O 125.057 2.476 . . . . 44.89 110.422 173.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HA ' ' OG1' ' A' ' 7' ' ' THR . . . -83.5 154.07 24.08 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 119.039 -2.448 . . . . 50.98 111.259 -178.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 28' ' ' GLU . 35.5 m -95.5 156.16 3.26 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.409 0 CA-C-N 109.908 -3.315 . . . . 52.91 107.113 177.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.541 ' HB3' ' H ' ' A' ' 26' ' ' ARG 0.375 4.5 m120 -83.04 -141.51 0.06 Allowed 'General case' 0 CA--C 1.48 -1.739 0 N-CA-C 117.046 2.239 . . . . 71.16 117.046 -178.902 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 m -111.34 -29.33 7.85 Favored 'General case' 0 N--CA 1.447 -0.596 1 CA-C-N 107.145 -4.57 . . . . 72.16 107.164 175.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HB2' ' OE2' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -85.59 -3.9 59.01 Favored 'General case' 0 C--O 1.261 1.705 0 O-C-N 125.419 1.7 . . . . 63.05 112.902 178.197 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . 88.54 -11.74 67.32 Favored Glycine 0 C--N 1.374 2.686 0 O-C-N 125.377 1.673 . . . . 37.05 114.891 179.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' OE2' ' HB2' ' A' ' 26' ' ' ARG . 2.5 mt-10 -65.99 142.48 57.83 Favored 'General case' 0 C--O 1.204 -1.336 0 C-N-CA 127.555 2.342 . . . . 90.0 116.426 -178.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.707 ' HE2' ' HB2' ' A' ' 53' ' ' GLU . 16.4 p90 -145.63 171.42 14.73 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.409 -0.96 . . . . 72.63 108.409 177.613 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.353 69.3 p -139.41 170.27 16.23 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-O 122.197 0.998 . . . . 78.42 112.733 175.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.12 -168.89 41.64 Favored Glycine 0 CA--C 1.498 -1.018 0 C-N-CA 115.911 -3.042 . . . . 29.88 112.02 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 p -144.51 139.85 28.5 Favored 'General case' 0 CA--C 1.482 -1.639 0 O-C-N 125.399 1.293 . . . . 34.95 111.812 -176.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -113.75 140.34 48.36 Favored 'General case' 0 CA--C 1.474 -1.949 0 O-C-N 126.084 2.115 . . . . 40.37 110.445 -175.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -127.61 93.97 3.85 Favored 'General case' 0 CA--C 1.476 -1.869 0 N-CA-C 103.652 -2.722 . . . . 53.98 103.652 177.727 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 35' ' ' THR . 14.2 t -79.96 143.76 33.89 Favored 'General case' 0 N--CA 1.418 -2.036 0 O-C-N 124.788 1.305 . . . . 40.92 109.598 178.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.81 -6.08 25.34 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 127.184 2.193 . . . . 25.51 114.415 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -140.41 156.63 24.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 104.412 -2.44 . . . . 20.99 104.412 176.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.0 p -145.72 163.82 33.75 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 106.994 -1.484 . . . . 54.65 106.994 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.58 -17.06 11.25 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 104.015 -2.587 . . . . 43.43 104.015 -178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.6 147.95 25.7 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-N 112.872 -1.967 . . . . 51.26 110.559 176.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.7 p -96.11 65.47 2.44 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 115.758 -2.377 . . . . 58.87 106.813 -178.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.252 0.4 OUTLIER -137.84 146.93 44.06 Favored 'General case' 0 C--O 1.198 -1.644 0 N-CA-C 115.522 1.675 . . . . 90.0 115.522 -178.264 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 43' ' ' GLU 0.319 0.0 OUTLIER -61.95 119.65 9.27 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 116.338 -2.145 . . . . 82.73 110.007 -177.543 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.59 134.5 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.514 0 CA-C-N 112.138 -2.301 . . . . 39.85 111.885 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -145.37 133.77 21.87 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 116.627 -2.029 . . . . 90.0 115.038 173.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -34.87 112.38 0.15 Allowed 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 125.319 1.448 . . . . 77.95 113.026 176.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . 0.513 ' HB3' ' HD2' ' A' ' 48' ' ' PRO . 0.7 OUTLIER -113.13 157.31 41.23 Favored Pre-proline 0 C--O 1.251 1.162 0 CA-C-O 125.196 2.427 . . . . 48.58 113.427 179.678 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 47' ' ' SER . 7.0 Cg_endo -86.0 139.39 6.3 Favored 'Trans proline' 0 C--N 1.298 -2.105 1 C-N-CA 125.562 4.175 . . . . 39.73 113.037 -179.781 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.603 ' O ' HD12 ' A' ' 49' ' ' LEU . 3.8 pp -125.81 135.79 52.39 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.085 -1.45 . . . . 42.61 107.085 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -126.87 122.67 35.34 Favored 'General case' 0 C--O 1.263 1.81 0 C-N-CA 126.715 2.006 . . . . 90.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.31 -154.59 6.31 Favored Glycine 0 N--CA 1.428 -1.889 0 CA-C-O 127.52 3.844 . . . . 36.5 116.3 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -165.01 150.77 9.83 Favored 'General case' 0 N--CA 1.38 -3.931 0 CA-C-N 110.535 -2.833 . . . . 46.32 107.607 -178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.707 ' HB2' ' HE2' ' A' ' 29' ' ' PHE . 8.9 tt0 -121.38 147.42 45.73 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 114.158 -1.383 . . . . 86.88 108.793 -177.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . 0.273 38.3 t30 -82.63 134.53 35.16 Favored 'General case' 0 C--O 1.255 1.358 0 CA-C-O 122.749 1.261 . . . . 64.71 114.04 -178.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.95 -15.69 13.27 Favored 'General case' 0 CA--C 1.497 -1.073 0 CA-C-N 112.722 -2.036 . . . . 69.99 112.293 -174.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 mp -47.62 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 CA-C-N 114.287 -1.324 . . . . 51.11 109.795 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 77.02 131.41 0.05 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.583 -2.099 . . . . 90.0 109.94 -178.28 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -59.75 83.91 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 122.025 0.917 . . . . 90.0 109.862 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.9 124.97 35.16 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 107.34 -1.356 . . . . 82.96 107.34 177.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.85 -3.56 16.34 Favored 'General case' 0 C--N 1.304 -1.379 0 C-N-CA 118.906 -1.118 . . . . 62.81 108.674 -179.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 521' ' ' HOH . 24.6 mt-30 -143.62 74.15 16.92 Favored Pre-proline 0 N--CA 1.436 -1.162 0 N-CA-C 114.301 1.223 . . . . 52.15 114.301 179.368 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 83' ' ' CYS . 73.0 Cg_endo -69.43 164.06 35.65 Favored 'Trans proline' 0 C--N 1.313 -1.289 0 C-N-CA 125.001 3.801 . . . . 41.16 116.592 -179.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.2 p -97.17 142.11 29.48 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 110.138 -3.21 . . . . 63.96 108.588 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.529 ' CZ ' HG22 ' A' ' 95' ' ' THR . 17.6 p90 -143.53 163.35 33.41 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-O 123.917 1.818 . . . . 45.39 110.606 -177.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.574 ' HA2' ' O ' ' A' ' 79' ' ' PHE . . . -159.28 149.89 20.04 Favored Glycine 0 C--N 1.298 -1.581 0 CA-C-N 113.043 -1.89 . . . . 36.64 109.541 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -160.11 160.21 32.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 104.147 -2.538 . . . . 34.24 104.147 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . 0.552 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 27.0 m -113.74 141.93 46.67 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 129.038 3.961 . . . . 21.77 113.494 179.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.529 ' N ' HG22 ' A' ' 67' ' ' THR . 58.0 t -112.56 118.22 57.29 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 116.854 -1.938 . . . . 25.18 111.361 175.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' A' ' 47' ' ' SER . 0.2 OUTLIER -90.88 98.46 11.79 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 105.466 -2.05 . . . . 73.18 105.466 174.871 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.754 ' CZ2' ' H81' ' A' ' 400' ' ' BTN . 6.7 m95 -64.27 134.42 54.69 Favored 'General case' 0 N--CA 1.421 -1.903 0 O-C-N 125.519 1.762 . . . . 45.33 107.558 -175.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 71' ' ' LYS 0.279 0.0 OUTLIER -89.36 -20.76 23.61 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 123.783 1.754 . . . . 75.68 112.641 -177.241 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 72' ' ' PHE . 22.1 p90 -105.77 2.07 27.56 Favored 'General case' 0 C--N 1.269 -2.905 0 CA-C-N 114.026 -1.443 . . . . 33.33 114.332 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . 0.59 ' C ' ' H ' ' A' ' 75' ' ' SER . 67.6 p -139.87 155.64 47.11 Favored 'General case' 0 CA--C 1.463 -2.368 0 CA-C-N 122.078 2.217 . . . . 28.46 113.473 178.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.56 6.08 2.06 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 117.443 -1.703 . . . . 57.14 107.905 177.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 73' ' ' SER . 6.1 t -84.46 147.92 26.84 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 118.9 2.926 . . . . 48.18 118.9 -176.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.29 0.2 OUTLIER -121.63 134.45 54.99 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 126.088 1.755 . . . . 47.96 115.072 175.278 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . 0.649 ' HG1' ' HE1' ' A' ' 70' ' ' TRP . 27.9 m -118.89 143.86 46.74 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 123.734 1.73 . . . . 32.32 113.87 174.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.54 138.61 54.18 Favored 'Isoleucine or valine' 0 C--O 1.271 2.215 0 CA-C-N 114.395 -1.275 . . . . 26.81 110.22 177.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.574 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 9.8 m-85 -125.3 140.85 52.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 124.353 2.025 . . . . 53.83 113.075 176.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . 0.366 12.8 t -139.6 147.55 41.27 Favored 'General case' 0 N--CA 1.408 -2.558 0 CA-C-N 112.478 -2.146 . . . . 35.29 110.204 172.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 179.48 -168.08 38.43 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 118.758 -1.687 . . . . 32.31 112.401 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 62' ' ' PRO . 40.9 tt0 -135.84 140.35 44.11 Favored 'General case' 0 C--O 1.275 2.401 0 CA-C-O 123.6 1.667 . . . . 49.47 111.567 -178.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.416 ' C ' ' SG ' ' A' ' 4' ' ' CYS . 35.4 t -89.41 123.1 33.25 Favored 'General case' 0 N--CA 1.431 -1.381 0 CA-C-N 112.605 -2.089 . . . . 47.86 107.173 178.683 -171.268 -67.45 -79.95 104.26 1.935 96.617 -91.525 -131.321 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -118.26 147.97 42.9 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 124.781 2.229 . . . . 42.26 113.927 -177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -108.98 102.47 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.068 0 CA-C-N 113.319 -1.764 . . . . 76.54 108.725 179.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' A' ' 90' ' ' LYS . 1.6 t0 -55.49 177.55 0.05 OUTLIER 'General case' 0 C--O 1.269 2.092 0 CA-C-N 112.441 -2.163 . . . . 90.0 113.811 179.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -82.19 -29.01 31.7 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 111.535 -2.575 . . . . 65.53 107.083 176.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -69.55 -11.81 61.14 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-O 122.451 1.119 . . . . 90.0 108.069 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 90.68 1.06 74.52 Favored Glycine 0 C--O 1.257 1.576 0 O-C-N 120.415 -1.428 . . . . 66.57 109.842 -175.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 1.3 ptmt -91.68 140.57 29.58 Favored 'General case' 0 C--O 1.211 -0.949 0 N-CA-C 118.067 2.617 . . . . 67.4 118.067 -177.009 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' CD ' ' NH1' ' A' ' 122' ' ' ARG . 1.3 mt-10 -67.02 149.54 50.48 Favored 'General case' 0 C--O 1.257 1.488 0 N-CA-C 116.329 1.974 . . . . 90.0 116.329 176.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.56 109.13 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 124.904 2.288 . . . . 51.81 115.557 -178.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' HG ' ' CZ ' ' A' ' 64' ' ' PHE 0.26 1.1 mp -84.29 118.99 24.54 Favored 'General case' 0 N--CA 1.409 -2.5 0 C-N-CA 116.174 -2.21 . . . . 40.65 109.509 172.979 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.2 103.71 13.3 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 105.052 -2.203 . . . . 42.02 105.052 173.103 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' THR . . . . . 0.529 HG22 ' CZ ' ' A' ' 64' ' ' PHE . 39.2 p -113.39 -175.84 2.76 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.014 -0.993 . . . . 41.79 111.405 -176.231 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 2.1 ttt -159.47 138.37 10.95 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 127.55 3.031 . . . . 29.26 105.68 179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 39.9 p-90 -132.31 157.31 44.75 Favored 'General case' 0 CA--C 1.464 -2.36 0 CA-C-O 116.291 -1.814 . . . . 21.53 113.043 -176.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.254 1.4 mt -123.71 138.18 54.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 127.351 2.907 . . . . 22.91 105.051 174.003 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.4 tp -123.57 108.83 13.04 Favored 'General case' 0 C--O 1.195 -1.803 0 O-C-N 124.264 0.978 . . . . 20.53 112.715 -174.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.424 ' CZ ' ' HB1' ' A' ' 112' ' ' ALA 0.786 0.0 OUTLIER -95.2 135.8 36.33 Favored 'General case' 0 N--CA 1.391 -3.405 0 C-N-CA 113.978 -3.089 . . . . 41.6 115.865 -178.773 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 100' ' ' ARG 0.325 0.5 OUTLIER -100.35 147.04 26.24 Favored 'General case' 0 N--CA 1.401 -2.916 0 C-N-CA 118.359 -1.336 . . . . 24.73 107.445 -179.761 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.4 t -74.19 135.12 42.78 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 124.537 1.148 . . . . 42.78 109.082 176.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . 0.332 16.7 m -125.07 168.83 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 CA-C-O 117.782 -1.104 . . . . 50.28 109.118 176.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.503 4.2 t-20 -105.88 3.15 28.28 Favored 'General case' 0 C--N 1.372 1.576 0 CA-C-N 121.967 2.167 . . . . 90.0 114.335 176.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.405 ' C ' ' N ' ' A' ' 107' ' ' GLY 0.314 0.4 OUTLIER -144.83 133.9 22.69 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 117.562 2.43 . . . . 89.28 117.562 176.335 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.414 ' H ' HG12 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -51.98 -20.74 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.052 0 CA-C-N 114.754 -1.112 . . . . 90.0 108.826 175.326 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 542' ' ' HOH . . . -85.91 2.15 87.79 Favored Glycine 0 C--N 1.309 -0.968 0 C-N-CA 119.498 -1.334 . . . . 32.11 112.12 -179.061 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -121.81 -3.55 9.2 Favored 'General case' 0 C--O 1.197 -1.67 0 CA-C-N 117.742 0.771 . . . . 42.27 110.803 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.421 ' OD1' ' NH2' ' A' ' 100' ' ' ARG . 7.6 t70 -51.26 -37.58 47.99 Favored 'General case' 0 N--CA 1.423 -1.807 0 C-N-CA 125.152 1.381 . . . . 25.82 114.452 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.428 ' O ' ' HE3' ' A' ' 110' ' ' TRP . 8.9 p-90 -48.77 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.603 1.705 . . . . 32.21 115.603 -178.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -124.48 -2.93 7.92 Favored 'General case' 0 CA--C 1.45 -2.89 0 CA-C-O 117.934 -1.031 . . . . 71.46 110.264 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.424 ' HB1' ' CZ ' ' A' ' 100' ' ' ARG . . . -58.48 -2.18 0.19 Allowed 'General case' 0 C--O 1.253 1.267 0 O-C-N 127.06 2.725 . . . . 28.19 116.419 175.821 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.0 m -143.21 126.93 17.06 Favored 'General case' 0 C--O 1.246 0.917 0 N-CA-C 119.228 3.047 . . . . 33.26 119.228 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.48 158.81 16.09 Favored 'General case' 0 CA--C 1.572 1.809 0 O-C-N 128.363 3.539 . . . . 48.68 112.344 -179.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 14.8 p -146.97 148.31 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.309 0 O-C-N 118.552 -2.592 . . . . 29.56 110.238 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -169.24 -169.85 33.09 Favored Glycine 0 C--N 1.365 2.17 0 O-C-N 126.138 2.149 . . . . 20.48 116.553 174.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.472 HD12 HG21 ' A' ' 117' ' ' ILE . 0.3 OUTLIER -108.52 -176.83 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.914 0 CA-C-O 123.435 1.588 . . . . 41.31 113.896 172.493 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.463 ' H ' ' HB ' ' A' ' 117' ' ' ILE . 2.3 m120 -171.7 139.56 1.22 Allowed 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 109.272 -3.604 . . . . 35.04 114.071 174.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 12' ' ' ASN . 7.3 mt -112.83 127.55 70.01 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.039 0 CA-C-O 124.12 1.914 . . . . 36.37 110.962 176.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' A' ' 120' ' ' PHE . 0.1 OUTLIER -112.19 146.52 37.96 Favored 'General case' 0 C--N 1.28 -2.443 0 C-N-CA 113.803 -3.159 . . . . 39.83 110.664 176.276 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' THR . . . . . 0.503 ' O ' ' HB3' ' A' ' 10' ' ' TRP . 0.0 OUTLIER -133.55 -171.84 2.81 Favored 'General case' 0 CA--C 1.471 -2.067 0 N-CA-C 103.733 -2.691 . . . . 60.49 103.733 175.916 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.469 ' NH2' ' O ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -105.44 160.57 15.04 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 125.967 2.042 . . . . 82.81 112.587 -176.464 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 69.6 mt -103.77 154.96 18.98 Favored 'General case' 0 N--CA 1.438 -1.046 0 C-N-CA 116.794 -1.963 . . . . 73.88 108.173 175.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -80.13 176.83 9.4 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 123.416 0.447 . . . . 51.24 110.856 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 93.4 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.449 -0.786 . . . . 31.08 112.651 -179.294 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.698 ' HG3' ' H ' ' B' ' 3' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.508 -0.666 0 CA-C-O 121.968 0.889 . . . . 78.78 111.662 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.698 ' H ' ' HG3' ' B' ' 2' ' ' ARG . 27.9 tptt -175.65 108.85 0.1 Allowed 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.802 -1.544 . . . . 90.0 110.602 -177.141 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . 0.544 ' SG ' ' HG2' ' B' ' 91' ' ' GLU . 1.8 t -113.45 102.98 10.82 Favored 'General case' 0 N--CA 1.418 -2.039 0 N-CA-C 103.845 -2.65 . . . . 45.93 103.845 176.49 -149.823 -87.401 -82.882 99.486 1.975 105.297 -63.985 -161.167 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -103.43 145.51 29.89 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 118.096 -1.442 . . . . 80.74 107.311 177.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 6' ' ' LEU . 0.4 OUTLIER -73.77 -28.47 61.69 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 112.729 -2.032 . . . . 68.94 109.676 177.582 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . 0.445 HG23 ' O ' ' B' ' 21' ' ' GLY . 87.1 m -63.41 131.39 48.06 Favored 'General case' 0 CA--C 1.463 -2.378 0 O-C-N 124.91 1.381 . . . . 37.85 111.795 -178.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.04 -167.79 25.29 Favored Glycine 0 N--CA 1.478 1.444 0 O-C-N 124.521 1.138 . . . . 43.49 111.747 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.47 ' HB3' HD12 ' B' ' 123' ' ' LEU . 68.8 mttt -116.32 133.36 56.11 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 105.265 -2.124 . . . . 56.02 105.265 179.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.643 ' CZ3' HD13 ' B' ' 93' ' ' LEU . 7.0 m95 -130.73 151.19 51.45 Favored 'General case' 0 CA--C 1.501 -0.922 0 CA-C-O 122.881 1.324 . . . . 46.27 110.682 -178.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -118.55 -172.75 2.34 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 103.965 -2.606 . . . . 38.22 103.965 174.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASN . . . . . 0.54 ' OD1' ' C ' ' B' ' 12' ' ' ASN . 0.0 OUTLIER -160.63 160.46 31.67 Favored 'General case' 0 N--CA 1.42 -1.946 0 O-C-N 120.485 -1.384 . . . . 57.36 111.612 -174.946 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' B' ' 13' ' ' ASP . 15.2 p-10 -48.86 -11.46 0.04 OUTLIER 'General case' 0 C--O 1.247 0.937 0 N-CA-C 121.1 3.741 . . . . 46.88 121.1 -175.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.1 mt -112.56 2.16 16.14 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 122.852 1.311 . . . . 61.53 109.485 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.94 -22.37 38.49 Favored Glycine 0 N--CA 1.405 -3.425 0 C-N-CA 115.386 -3.292 . . . . 35.0 113.049 -178.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' B' ' 36' ' ' ALA 0.303 66.7 m -58.13 159.16 6.11 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 118.027 0.914 . . . . 36.35 111.753 -178.505 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -139.53 133.12 30.39 Favored 'General case' 0 C--O 1.255 1.369 0 N-CA-C 115.272 1.582 . . . . 53.84 115.272 -177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' MET . . . . . 0.56 ' HG2' ' HE2' ' B' ' 120' ' ' PHE 0.394 0.4 OUTLIER -123.56 159.94 28.1 Favored 'General case' 0 CA--C 1.476 -1.871 0 C-N-CA 116.708 -1.997 . . . . 37.86 114.625 175.534 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.83 118.23 12.85 Favored 'General case' 0 CA--C 1.499 -1.003 0 O-C-N 127.307 2.879 . . . . 49.65 106.994 178.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.61 142.06 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.195 0 O-C-N 126.975 2.672 . . . . 59.91 110.017 -177.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.445 ' O ' HG23 ' B' ' 7' ' ' THR . . . -98.58 -112.05 3.16 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 119.369 2.507 . . . . 57.57 119.369 -175.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.22 -166.71 0.76 Allowed 'General case' 0 N--CA 1.433 -1.301 0 CA-C-O 123.023 1.392 . . . . 72.28 110.359 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -170.76 98.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 100.95 -3.722 . . . . 54.75 100.95 176.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.943 ' HB3' ' H ' ' B' ' 26' ' ' ARG 0.554 0.8 OUTLIER -49.32 -176.01 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.069 0 CA-C-N 112.649 -2.069 . . . . 90.0 110.381 176.687 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -74.62 -5.02 40.62 Favored 'General case' 0 N--CA 1.422 -1.829 0 N-CA-C 103.956 -2.609 . . . . 65.53 103.956 171.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.943 ' H ' ' HB3' ' B' ' 24' ' ' ASN 0.538 0.2 OUTLIER -106.93 -5.33 18.31 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 118.06 2.615 . . . . 51.41 118.06 179.835 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLY . . . . . 0.525 ' O ' ' HD1' ' B' ' 29' ' ' PHE . . . 90.29 -12.45 68.0 Favored Glycine 0 C--N 1.355 1.635 0 CA-C-O 123.435 1.575 . . . . 48.04 112.145 179.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' B' ' 52' ' ' THR . 4.3 mt-10 -63.84 144.01 57.39 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 107.121 -1.437 . . . . 90.0 107.121 -179.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . 0.525 ' HD1' ' O ' ' B' ' 27' ' ' GLY . 55.2 p90 -171.28 151.61 3.16 Favored 'General case' 0 CA--C 1.484 -1.562 0 O-C-N 125.618 1.824 . . . . 53.24 111.401 179.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . 0.481 HG22 ' CB ' ' B' ' 50' ' ' HIS . 22.4 p -132.12 169.14 16.81 Favored 'General case' 0 CA--C 1.489 -1.394 0 O-C-N 126.058 2.099 . . . . 52.05 110.415 -179.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.93 -163.27 29.3 Favored Glycine 0 CA--C 1.489 -1.593 0 N-CA-C 108.283 -1.927 . . . . 44.16 108.283 -176.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' THR . . . . . . . . . . . . . 43.6 p -126.45 161.9 26.85 Favored 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.136 1.139 . . . . 51.96 111.066 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -133.26 134.36 43.85 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-O 127.422 3.487 . . . . 43.04 115.716 -177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.96 91.16 3.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 111.249 -2.705 . . . . 60.63 110.893 179.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' B' ' 36' ' ' ALA . 1.7 t -71.96 157.77 37.22 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-O 126.182 2.896 . . . . 30.01 110.482 179.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.47 ' N ' ' OG ' ' B' ' 16' ' ' SER 0.298 . . -110.24 -6.37 15.06 Favored 'General case' 1 C--N 1.243 -4.043 0 CA-C-N 112.466 -2.152 . . . . 24.01 109.144 -177.54 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.421 HG13 ' C ' ' B' ' 36' ' ' ALA . 18.2 m -152.17 157.29 5.14 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 CA-C-N 115.541 -0.754 . . . . 46.21 110.706 -172.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 4.3 m -143.56 154.92 44.09 Favored 'General case' 0 CA--C 1.487 -1.461 0 O-C-N 124.786 1.304 . . . . 45.68 114.181 -173.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.5 -22.37 18.29 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 104.843 -2.28 . . . . 58.81 104.843 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.8 175.08 6.79 Favored 'General case' 0 N--CA 1.413 -2.309 0 CA-C-N 113.967 -1.469 . . . . 75.42 112.681 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.8 m -112.49 82.33 1.62 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 131.25 3.82 . . . . 84.68 108.814 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . 0.832 1.7 t30 -163.2 148.51 11.52 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.819 -1.178 . . . . 90.0 107.819 176.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.6 140.59 48.13 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 106.208 -1.775 . . . . 90.0 106.208 -175.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.93 143.9 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.906 0 CA-C-O 125.635 2.636 . . . . 49.81 111.085 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . 0.921 ' HE2' ' HA ' ' B' ' 45' ' ' LYS . 0.0 OUTLIER -140.52 136.69 33.16 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 111.702 -2.499 . . . . 76.34 107.63 179.751 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -49.9 135.18 20.28 Favored 'General case' 0 N--CA 1.42 -1.965 0 N-CA-C 104.789 -2.3 . . . . 90.0 104.789 176.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' SER . . . . . 0.546 ' HB3' ' HD2' ' B' ' 48' ' ' PRO 0.597 0.1 OUTLIER -118.87 150.43 48.52 Favored Pre-proline 0 C--N 1.359 0.988 0 O-C-N 125.478 1.736 . . . . 51.18 111.297 174.267 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' B' ' 69' ' ' ASN . 58.0 Cg_endo -79.09 148.81 21.94 Favored 'Trans proline' 0 C--N 1.3 -2.007 0 C-N-CA 122.685 2.257 . . . . 48.98 112.639 -179.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.487 ' C ' HD12 ' B' ' 49' ' ' LEU . 1.4 pp -137.99 145.8 42.36 Favored 'General case' 0 CA--C 1.456 -2.651 0 O-C-N 124.646 1.216 . . . . 36.88 112.178 176.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.481 ' CB ' HG22 ' B' ' 30' ' ' THR . 0.1 OUTLIER -142.7 132.2 23.71 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 126.444 2.34 . . . . 71.65 112.817 179.066 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.53 -173.36 18.54 Favored Glycine 0 N--CA 1.418 -2.513 0 C-N-CA 118.973 -1.584 . . . . 39.39 113.275 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' THR . . . . . 0.439 ' CG2' ' HG3' ' B' ' 28' ' ' GLU . 5.5 p -138.2 130.29 28.61 Favored 'General case' 0 N--CA 1.427 -1.579 0 C-N-CA 126.387 1.875 . . . . 34.18 111.78 179.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -99.93 127.37 46.13 Favored 'General case' 0 C--O 1.259 1.576 0 C-N-CA 125.967 1.707 . . . . 76.87 110.322 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -70.79 140.54 51.3 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.969 -1.014 . . . . 90.0 111.344 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.0 p -150.28 58.28 0.96 Allowed 'General case' 0 CA--C 1.493 -1.23 0 O-C-N 124.094 0.871 . . . . 72.39 110.326 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.42 62.89 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 O-C-N 125.711 1.882 . . . . 74.04 110.2 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 126.91 55.42 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 127.877 2.471 . . . . 90.0 111.12 179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . 0.399 34.2 tptt -4.75 92.66 0.01 OUTLIER 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 125.559 1.787 . . . . 83.67 115.526 -176.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -107.4 150.39 26.79 Favored 'General case' 0 N--CA 1.396 -3.127 0 CA-C-N 110.808 -2.905 . . . . 83.91 105.898 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . 0.251 0.8 OUTLIER -83.4 -16.07 47.34 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.222 -1.354 . . . . 65.26 113.95 -177.777 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.575 ' HB3' ' O ' ' B' ' 83' ' ' CYS . 5.3 mt-30 -132.76 73.26 76.34 Favored Pre-proline 0 C--N 1.351 0.65 0 C-N-CA 127.421 2.289 . . . . 42.19 108.436 176.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' B' ' 83' ' ' CYS 0.396 63.0 Cg_endo -74.67 161.71 39.09 Favored 'Trans proline' 0 CA--C 1.497 -1.355 0 C-N-CA 121.8 1.667 . . . . 31.35 110.594 -179.001 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . 0.377 12.2 p -81.9 169.44 16.82 Favored 'General case' 0 C--O 1.269 2.131 0 N-CA-C 105.32 -2.104 . . . . 32.98 105.32 173.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -159.29 170.71 21.27 Favored 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 126.808 2.567 . . . . 32.73 107.652 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -154.27 159.41 28.83 Favored Glycine 0 CA--C 1.533 1.206 0 N-CA-C 107.543 -2.223 . . . . 25.16 107.543 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.622 ' CE1' ' CD1' ' B' ' 79' ' ' PHE . 31.0 p90 -164.95 148.9 8.79 Favored 'General case' 0 CA--C 1.497 -1.091 0 O-C-N 121.281 -1.129 . . . . 36.01 110.668 176.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 11.4 m -103.34 149.41 24.78 Favored 'General case' 0 N--CA 1.419 -2.001 0 CA-C-N 112.059 -2.337 . . . . 37.44 107.477 175.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.475 ' O ' HG22 ' B' ' 76' ' ' THR 0.392 0.9 OUTLIER -121.01 116.07 48.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 126.399 2.312 . . . . 31.71 110.561 172.9 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASN . . . . . 0.576 ' O ' ' HD2' ' B' ' 48' ' ' PRO . 42.2 t30 -94.14 87.45 5.29 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 113.761 -1.563 . . . . 62.07 107.595 179.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' TRP . . . . . 0.672 ' CZ2' ' H81' ' B' ' 401' ' ' BTN . 72.2 m95 -52.96 129.7 31.29 Favored 'General case' 0 N--CA 1.427 -1.619 0 CA-C-O 122.258 1.028 . . . . 39.8 110.325 -178.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' B' ' 71' ' ' LYS 0.43 0.0 OUTLIER -83.57 -29.21 28.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 123.538 1.637 . . . . 90.0 114.604 -179.506 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -99.21 35.35 1.94 Allowed 'General case' 0 CA--C 1.466 -2.27 0 CA-C-N 114.257 -1.338 . . . . 66.22 112.252 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.16 156.88 3.3 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 115.343 -2.543 . . . . 54.89 113.218 -177.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.69 -20.1 59.99 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 115.919 1.822 . . . . 67.1 115.919 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . 0.799 ' HB2' ' O ' ' B' ' 100' ' ' ARG . 1.4 p -93.53 179.94 5.23 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 116.317 1.969 . . . . 34.8 116.317 -174.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' THR . . . . . 0.475 HG22 ' O ' ' B' ' 68' ' ' VAL . 0.2 OUTLIER -140.75 147.14 38.67 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.623 -1.626 . . . . 48.88 113.688 -178.93 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' THR . . . . . 0.534 HG22 ' N ' ' B' ' 78' ' ' VAL . 23.4 m -120.23 140.63 50.89 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 123.545 0.738 . . . . 39.02 112.623 174.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.534 ' N ' HG22 ' B' ' 77' ' ' THR . 14.2 m -118.51 127.83 75.51 Favored 'Isoleucine or valine' 0 C--O 1.274 2.374 0 C-N-CA 125.35 1.46 . . . . 26.27 108.936 177.243 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' B' ' 66' ' ' PHE . 54.4 m-85 -109.94 137.82 47.18 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 125.373 1.67 . . . . 42.51 111.374 174.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . 0.37 0.3 OUTLIER -136.01 129.42 32.0 Favored 'General case' 0 CA--C 1.459 -2.523 0 C-N-CA 125.982 1.713 . . . . 33.24 111.517 170.676 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -157.6 -157.48 8.44 Favored Glycine 0 CA--C 1.543 1.802 0 CA-C-O 123.863 1.813 . . . . 20.88 115.509 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -140.92 138.91 34.19 Favored 'General case' 0 N--CA 1.433 -1.277 0 CA-C-O 123.307 1.527 . . . . 48.49 111.314 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' CYS . . . . . 0.575 ' O ' ' HB3' ' B' ' 61' ' ' GLN . 7.4 t -82.82 85.2 7.13 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 111.361 -2.654 . . . . 36.62 113.114 178.392 -161.167 -63.985 -82.882 105.297 1.975 99.486 -87.401 -149.823 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -77.86 141.15 39.3 Favored 'General case' 0 C--N 1.279 -2.468 0 O-C-N 120.023 -1.673 . . . . 48.66 115.07 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.14 112.89 30.14 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.359 0 N-CA-C 102.605 -3.109 . . . . 76.54 102.605 168.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ASP . . . . . 0.519 ' HB2' ' O ' ' B' ' 90' ' ' LYS . 0.1 OUTLIER -70.01 -176.2 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.525 1.057 . . . . 58.45 112.563 179.815 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . 0.272 2.8 ptm180 -78.27 -26.14 47.02 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 114.179 1.177 . . . . 76.59 114.179 177.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -71.79 -10.81 60.32 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 106.139 -1.8 . . . . 90.0 106.139 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . 87.45 1.73 83.28 Favored Glycine 0 CA--C 1.566 3.271 0 CA-C-O 125.905 2.947 . . . . 47.56 111.713 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LYS . . . . . 0.519 ' O ' ' HB2' ' B' ' 86' ' ' ASP . 1.6 mmmt -85.7 137.22 32.97 Favored 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 113.164 -1.518 . . . . 67.99 113.198 -179.553 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.544 ' HG2' ' SG ' ' B' ' 4' ' ' CYS . 0.2 OUTLIER -69.06 151.69 46.14 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-N 114.341 -1.299 . . . . 90.0 108.695 177.404 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' VAL . . . . . 0.496 HG21 ' OD1' ' B' ' 86' ' ' ASP . 53.5 t -152.92 107.94 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.546 0 CA-C-N 115.74 -0.663 . . . . 41.31 111.612 -179.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LEU . . . . . 0.744 ' HB2' ' HB2' ' B' ' 120' ' ' PHE . 7.2 mp -79.59 119.03 21.98 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 110.064 -0.347 . . . . 33.02 110.064 177.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -105.95 119.27 38.76 Favored 'General case' 0 CA--C 1.495 -1.162 0 O-C-N 125.174 1.546 . . . . 90.0 106.989 177.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' THR . . . . . 0.618 ' CG2' ' HB2' ' B' ' 118' ' ' ASN 0.398 0.5 OUTLIER -139.32 170.12 16.51 Favored 'General case' 0 N--CA 1.413 -2.302 0 N-CA-C 116.692 2.108 . . . . 32.63 116.692 -164.917 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' MET . . . . . 0.505 ' N ' HG23 ' B' ' 95' ' ' THR 0.275 0.9 OUTLIER -159.53 147.0 17.02 Favored 'General case' 0 CA--C 1.484 -1.584 0 C-N-CA 115.022 -2.671 . . . . 25.22 110.351 -179.71 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TRP . . . . . 0.633 ' CZ2' ' HA3' ' B' ' 116' ' ' GLY . 40.1 p-90 -140.01 178.26 7.39 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 123.926 1.822 . . . . 40.78 114.449 -173.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 17.6 mt -139.2 128.0 23.42 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 108.82 -3.809 . . . . 36.27 105.225 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 1.5 tp -112.03 112.38 23.97 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 106.832 -1.544 . . . . 30.07 106.832 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.799 ' O ' ' HB2' ' B' ' 75' ' ' SER . 0.1 OUTLIER -96.41 112.56 24.26 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-O 124.089 1.899 . . . . 37.79 110.769 -179.699 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SER . . . . . 0.723 ' O ' ' HD2' ' B' ' 100' ' ' ARG . 18.1 m -85.54 157.22 20.46 Favored 'General case' 0 C--N 1.291 -1.975 0 CA-C-N 112.683 -2.053 . . . . 42.21 107.681 179.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.28 130.01 35.22 Favored 'General case' 0 CA--C 1.568 1.655 0 CA-C-O 123.402 1.573 . . . . 41.55 112.59 177.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.4 m -124.63 152.54 30.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 O-C-N 119.297 -2.127 . . . . 29.24 108.574 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . 0.34 94.4 m-20 -80.04 -27.44 39.44 Favored 'General case' 0 CA--C 1.47 -2.132 0 C-N-CA 126.391 1.876 . . . . 90.0 113.772 -174.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' B' ' 108' ' ' ASP . 24.4 t0 -138.07 116.01 11.59 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 114.625 -1.17 . . . . 75.52 113.51 -174.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ILE . . . . . 0.422 ' C ' ' H ' ' B' ' 108' ' ' ASP . 0.0 OUTLIER -40.73 -27.26 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 N-CA-C 115.99 1.848 . . . . 53.04 115.99 178.388 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' GLY . . . . . . . . . . . . . . . -76.41 0.41 64.26 Favored Glycine 0 N--CA 1.425 -2.075 0 N-CA-C 107.274 -2.33 . . . . 27.84 107.274 -179.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' B' ' 105' ' ' ASP . 21.0 m-20 -109.86 4.72 21.91 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 118.233 -1.387 . . . . 68.08 112.224 -179.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' B' ' 111' ' ' LYS . 5.9 t70 -51.96 -53.42 41.64 Favored 'General case' 0 CA--C 1.576 1.967 0 CA-C-O 123.728 1.728 . . . . 90.0 113.861 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' TRP . . . . . 0.593 ' CZ2' ' HE3' ' B' ' 111' ' ' LYS . 37.0 p-90 -38.62 -25.12 0.01 OUTLIER 'General case' 0 N--CA 1.419 -1.997 0 N-CA-C 116.357 1.984 . . . . 46.86 116.357 -177.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LYS . . . . . 0.593 ' HE3' ' CZ2' ' B' ' 110' ' ' TRP 0.267 0.0 OUTLIER -103.61 -0.12 30.04 Favored 'General case' 0 CA--C 1.485 -1.555 0 C-N-CA 116.525 -2.07 . . . . 84.92 116.558 -179.981 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.57 3.47 18.78 Favored 'General case' 0 C--O 1.267 2.01 0 N-CA-C 120.046 3.35 . . . . 14.78 120.046 -178.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . 0.262 21.7 m -117.61 112.68 20.86 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 116.219 1.933 . . . . 40.99 116.219 -175.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -108.07 136.7 47.31 Favored 'General case' 0 C--N 1.376 1.749 0 C-N-CA 130.5 3.52 . . . . 55.95 108.597 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 13.2 p -123.32 144.74 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.602 0 O-C-N 125.46 1.725 . . . . 20.23 112.94 -172.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLY . . . . . 0.633 ' HA3' ' CZ2' ' B' ' 97' ' ' TRP . . . -165.3 176.62 40.91 Favored Glycine 0 CA--C 1.555 2.568 0 N-CA-C 118.919 2.328 . . . . 24.72 118.919 -179.086 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.465 HG23 ' N ' ' B' ' 118' ' ' ASN . 0.0 OUTLIER -107.32 178.93 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.416 -2.127 0 CA-C-N 113.033 -1.583 . . . . 41.05 112.425 178.607 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.618 ' HB2' ' CG2' ' B' ' 95' ' ' THR . 3.1 m120 -178.77 139.14 0.16 Allowed 'General case' 0 CA--C 1.5 -0.968 0 CA-C-O 124.069 1.89 . . . . 35.75 112.771 179.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 49.7 mt -128.1 122.08 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.083 0 CA-C-N 112.868 -1.969 . . . . 38.65 109.347 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.744 ' HB2' ' HB2' ' B' ' 93' ' ' LEU . 55.1 m-85 -105.74 141.14 37.68 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 125.12 1.513 . . . . 43.19 111.513 -178.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.17 139.35 46.99 Favored 'General case' 0 N--CA 1.416 -2.141 0 CA-C-N 109.344 -3.571 . . . . 57.18 113.712 -179.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' ARG . . . . . 0.651 ' HD2' ' CD ' ' B' ' 124' ' ' ARG . 0.0 OUTLIER -60.82 139.93 57.79 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 122.718 1.247 . . . . 90.0 113.455 -178.629 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' B' ' 9' ' ' LYS . 1.4 mt -82.08 -69.54 0.61 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 104.769 -2.308 . . . . 90.0 104.769 178.218 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ARG . . . . . 0.651 ' CD ' ' HD2' ' B' ' 122' ' ' ARG . 0.0 OUTLIER -19.85 122.44 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.601 0 CA-C-N 111.231 -2.713 . . . . 76.35 114.047 -179.649 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.066 0 CA-C-N 114.512 -1.222 . . . . 41.74 111.563 -179.837 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 600' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' BTN . . . . . 0.754 ' H81' ' CZ2' ' A' ' 70' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 401' ' ' BTN . . . . . 0.672 ' H81' ' CZ2' ' B' ' 70' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . 0.57 ' O ' ' HB2' ' A' ' 61' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' HOH . . . . . 0.478 ' O ' ' HA3' ' A' ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 543' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 545' ' ' HOH . . . . . 0.46 ' O ' ' NH2' ' B' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 546' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_