data_1cc5_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 1cc5 _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 ' 5' ' ' GLY . . . . . 0.781 ' O ' ' O ' ' A' ' 6' ' ' GLY . . . . . . . . 0 N--CA 1.513 3.781 2 N-CA-C 97.198 -6.361 . . . . 12.08 97.198 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . 0.781 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . -18.03 -155.35 0.0 OUTLIER Glycine 0 C--N 1.284 -2.321 0 O-C-N 127.752 2.678 . . . . 11.89 115.733 175.519 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.81 -2.63 3.84 Favored Glycine 2 CA--C 1.432 -5.103 2 N-CA-C 128.055 5.982 . . . . 12.84 128.055 -171.072 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 9' ' ' ARG 0.255 . . -68.61 99.04 0.94 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 124.15 3.975 . . . . 12.25 110.768 -175.128 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 97.86 -53.57 0.0 OUTLIER 'General case' 0 C--N 1.271 -2.819 1 N-CA-C 100.057 -4.053 . . . . 12.63 100.057 169.538 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 9' ' ' ARG 0.274 2.6 m 168.05 -106.07 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.556 1 CA-C-N 107.467 -4.424 . . . . 12.46 113.022 175.614 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 141.01 -28.47 2.38 Favored Glycine 0 C--N 1.272 -3.019 1 N-CA-C 93.914 -7.674 . . . . 14.02 93.914 -171.343 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -67.35 -61.18 2.04 Favored 'General case' 0 CA--C 1.563 1.473 1 N-CA-C 98.818 -4.512 . . . . 11.1 98.818 172.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -40.72 96.27 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 126.065 2.103 . . . . 13.92 111.842 177.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.25 -41.35 57.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 CA-C-O 116.832 -1.556 . . . . 10.71 114.62 -178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 20' ' ' ASN . 11.1 t -68.16 -38.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 O-C-N 126.462 2.351 . . . . 9.29 107.7 -178.807 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' O ' ' ND2' ' A' ' 20' ' ' ASN . . . -76.61 -25.54 53.98 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 116.241 1.941 . . . . 9.6 116.241 -177.022 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -102.21 -23.83 13.98 Favored 'General case' 0 C--O 1.259 1.573 0 O-C-N 125.408 1.693 . . . . 10.73 112.968 -175.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -129.42 -50.32 1.18 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.379 1.622 . . . . 10.2 115.379 -179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.8 m -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 117.893 2.553 . . . . 8.96 117.893 -176.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . 0.554 ' OD1' ' N ' ' A' ' 21' ' ' ALA . 5.0 p30 -47.82 -56.47 7.38 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 130.104 3.362 . . . . 13.36 114.592 -179.182 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' N ' ' OD1' ' A' ' 20' ' ' ASN . . . -37.01 -33.45 0.05 Allowed 'General case' 0 C--O 1.272 2.251 0 N-CA-C 117.913 2.56 . . . . 10.1 117.913 -175.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 m -126.17 -38.95 2.11 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 125.869 1.981 . . . . 9.35 112.781 -178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 31' ' ' PRO . 92.7 m-70 -72.21 -26.33 62.0 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 125.281 1.613 . . . . 9.36 111.923 -176.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.99 -62.05 4.77 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.191 -1.563 . . . . 9.95 109.191 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 p -68.87 -73.21 0.15 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 125.924 1.602 . . . . 10.49 107.239 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.16 18.42 0.35 Allowed Glycine 0 CA--C 1.558 2.772 0 N-CA-C 103.953 -3.659 . . . . 10.7 103.953 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -50.53 119.94 4.22 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 111.732 -2.234 . . . . 10.38 112.62 -178.828 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 84.32 6.93 0.58 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.648 -1.16 . . . . 8.9 112.878 178.479 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.6 m120 85.48 24.44 0.08 Allowed 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 127.262 2.225 . . . . 6.82 110.365 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.14 118.71 45.65 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 113.391 -1.731 . . . . 8.87 109.059 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 12.3 Cg_endo -51.23 112.32 0.77 Allowed 'Trans proline' 0 C--N 1.308 -1.573 0 O-C-N 126.469 2.826 . . . . 9.1 106.966 176.209 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -67.65 159.18 30.51 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 126.948 2.099 . . . . 12.6 113.865 -177.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 t -75.94 125.23 35.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 113.31 -1.768 . . . . 10.62 115.468 -175.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' SER . . . 98.26 -19.05 56.0 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 108.6 -1.8 . . . . 13.2 108.6 177.961 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -65.21 72.89 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.821 1.296 . . . . 11.29 111.007 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.8 t -42.61 -47.2 5.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 113.179 -1.828 . . . . 11.06 112.618 179.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -78.95 0.02 OUTLIER 'General case' 0 C--O 1.258 1.514 0 O-C-N 124.876 1.36 . . . . 12.32 113.519 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -33.14 -52.72 0.36 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.93 1.292 . . . . 11.01 114.085 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -64.76 -28.51 69.63 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 114.633 -1.167 . . . . 10.44 112.985 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . 0.656 ' NZ ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -66.1 -55.91 14.14 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 124.863 1.265 . . . . 11.0 113.663 -177.841 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -16.89 60.13 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 123.449 1.595 . . . . 9.78 109.069 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' NH2' ' O1A' ' A' ' 1' ' ' HEM . 0.0 OUTLIER -73.52 -57.9 3.68 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 127.196 2.198 . . . . 10.87 111.669 176.141 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.23 81.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.453 2.97 . . . . 9.93 106.277 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . 0.656 ' OD1' ' NZ ' ' A' ' 40' ' ' LYS . 14.5 m-20 -45.1 -57.35 3.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.201 -2.272 . . . . 10.98 109.565 -179.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.13 67.88 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 127.25 2.22 . . . . 9.94 114.913 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -120.47 26.85 8.92 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 117.924 2.564 . . . . 10.32 117.924 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.19 44.87 97.58 Favored Glycine 0 N--CA 1.434 -1.487 0 N-CA-C 121.975 3.55 . . . . 10.72 121.975 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.07 16.39 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 125.74 2.856 . . . . 11.48 115.997 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.91 -2.64 4.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.976 2.91 . . . . 11.96 111.33 -179.574 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.91 93.73 3.91 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 102.246 -3.242 . . . . 13.07 102.246 176.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.63 -10.38 0.14 Allowed Glycine 0 C--N 1.288 -2.117 1 N-CA-C 102.739 -4.144 . . . . 13.28 102.739 -177.93 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' SER . 7.3 mt -108.49 -42.75 4.48 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 127.483 2.519 . . . . 11.67 104.505 178.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.4 tp -75.93 -46.89 27.53 Favored 'General case' 0 C--O 1.264 1.851 0 O-C-N 127.107 2.754 . . . . 11.53 108.237 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.27 67.66 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 127.577 3.048 . . . . 9.92 105.263 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -78.53 -46.61 19.11 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-N 113.277 -1.783 . . . . 10.24 114.091 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . 0.669 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.7 OUTLIER -62.32 -46.28 89.43 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 126.689 2.493 . . . . 10.59 111.136 -178.169 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -39.63 62.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 125.452 1.72 . . . . 10.62 113.085 -179.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -80.27 -44.79 19.04 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 112.867 -1.97 . . . . 9.02 108.745 -178.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.38 159.67 31.88 Favored Glycine 0 N--CA 1.477 1.399 0 CA-C-N 112.159 -2.291 . . . . 9.22 108.624 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tp -149.07 111.5 4.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 123.791 1.758 . . . . 9.56 112.797 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 62.29 -83.03 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.841 2.456 . . . . 11.12 117.446 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.67 -11.14 11.03 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 122.465 1.126 . . . . 10.72 109.442 -175.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 4.4 tpt -79.9 115.22 52.49 Favored Pre-proline 0 N--CA 1.487 1.394 1 N-CA-C 98.591 -4.596 . . . . 9.73 98.591 173.705 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -70.75 144.37 48.57 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 126.877 3.041 . . . . 10.83 107.257 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -59.46 143.04 99.81 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 O-C-N 124.708 1.899 . . . . 11.89 113.929 -178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 68' ' ' THR . 64.4 tttt 66.8 49.11 1.26 Allowed 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 128.833 2.853 . . . . 13.21 110.864 -179.824 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 56.26 -64.83 0.01 OUTLIER Glycine 0 N--CA 1.5 2.941 1 CA-C-O 131.272 5.929 . . . . 13.73 103.999 -178.101 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . 0.86 ' N ' ' O ' ' A' ' 66' ' ' LYS 0.426 0.7 OUTLIER 128.64 165.57 0.0 OUTLIER 'General case' 0 N--CA 1.398 -3.069 3 C-N-CA 142.186 8.194 . . . . 12.76 104.627 177.42 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' CYS . . . . . 0.787 ' N ' ' OG1' ' A' ' 68' ' ' THR 0.413 3.2 p 90.07 96.74 0.02 OUTLIER 'General case' 0 CA--C 1.625 3.862 2 N-CA-C 88.407 -8.368 . . . . 10.32 88.407 -164.794 44.186 69.522 -12.18 140.857 1.991 125.005 82.946 -79.408 4 3 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.33 13.33 2.99 Favored 'General case' 0 C--N 1.315 -0.903 1 CA-C-N 105.871 -5.149 . . . . 11.77 103.022 178.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 69' ' ' CYS . 0.8 OUTLIER -99.32 -46.86 5.37 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 127.102 2.161 . . . . 15.78 109.619 -179.251 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.6 m -38.08 143.01 0.14 Allowed 'General case' 0 N--CA 1.433 -1.286 0 N-CA-C 116.749 2.129 . . . . 10.77 116.749 -177.447 -79.408 82.946 -12.18 125.005 1.991 140.857 69.522 44.186 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . 0.745 ' OG ' ' OD2' ' A' ' 75' ' ' ASP . 9.0 p -86.41 179.38 6.88 Favored 'General case' 0 N--CA 1.502 2.155 1 N-CA-C 99.866 -4.124 . . . . 10.71 99.866 173.509 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -28.14 56.97 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 125.599 1.812 . . . . 11.19 110.472 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . 0.745 ' OD2' ' OG ' ' A' ' 73' ' ' SER . 23.2 p-10 -69.0 -28.08 66.27 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 125.612 1.565 . . . . 13.24 112.522 -179.252 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -82.95 -35.29 26.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 125.358 1.661 . . . . 11.14 111.829 -178.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . 0.259 0.2 OUTLIER -66.31 -30.22 70.59 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 111.141 -2.754 . . . . 10.08 108.532 -178.144 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.79 -29.56 25.31 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.919 -1.491 . . . . 9.07 112.173 -177.61 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 5' ' ' GLY . . . -76.31 -26.66 56.04 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 124.367 1.042 . . . . 8.43 109.758 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.88 -12.78 37.96 Favored 'General case' 0 C--N 1.314 -0.949 0 O-C-N 126.259 2.225 . . . . 8.71 108.716 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mt -90.61 -43.04 14.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 N-CA-C 102.78 -3.044 . . . . 9.03 102.78 177.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.1 -41.38 60.44 Favored Glycine 0 N--CA 1.476 1.365 0 O-C-N 127.114 2.759 . . . . 10.06 110.164 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . 0.492 ' CB ' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -99.02 10.63 41.08 Favored 'General case' 0 C--O 1.279 2.613 0 N-CA-C 118.829 2.9 . . . . 12.62 118.829 -179.389 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.6 mtm -99.75 -40.43 7.75 Favored 'General case' 0 C--N 1.3 -1.573 2 CA-C-O 128.7 4.095 . . . . 11.13 100.097 175.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -58.43 5.81 Favored 'General case' 0 N--CA 1.413 -2.302 2 C-N-CA 133.476 4.71 . . . . 10.81 122.005 -176.433 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 87' ' ' LEU . . . 114.02 -62.88 0.31 Allowed Glycine 1 N--CA 1.524 4.555 1 N-CA-C 94.402 -7.479 . . . . 13.25 94.402 -171.182 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.165 0 CA-C-O 112.345 -3.693 . . . . 13.08 106.31 175.299 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HEM . . . . . 0.489 ' O1A' ' NH2' ' A' ' 42' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . 0.868 ' N ' ' HB2' ' A' ' 83' ' ' LYS . . . . . . . . 0 N--CA 1.513 3.781 2 N-CA-C 97.198 -6.361 . . . . 12.08 97.198 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . 0.781 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . -18.03 -155.35 0.0 OUTLIER Glycine 0 C--N 1.284 -2.321 0 O-C-N 127.752 2.678 . . . . 11.89 115.733 175.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.81 -2.63 3.84 Favored Glycine 2 CA--C 1.432 -5.103 2 N-CA-C 128.055 5.982 . . . . 12.84 128.055 -171.072 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . 0.752 ' HB3' ' HG2' ' A' ' 76' ' ' GLU 0.255 . . -68.61 99.04 0.94 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 124.15 3.975 . . . . 12.25 110.768 -175.128 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . 0.73 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 97.86 -53.57 0.0 OUTLIER 'General case' 0 C--N 1.271 -2.819 1 N-CA-C 100.057 -4.053 . . . . 12.63 100.057 169.538 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.596 ' HB3' ' H ' ' A' ' 12' ' ' ASP 0.274 2.6 m 168.05 -106.07 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.556 1 CA-C-N 107.467 -4.424 . . . . 12.46 113.022 175.614 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . 0.755 ' HA2' ' HB ' ' A' ' 14' ' ' VAL . . . 141.01 -28.47 2.38 Favored Glycine 0 C--N 1.272 -3.019 1 N-CA-C 93.914 -7.674 . . . . 14.02 93.914 -171.343 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . 0.596 ' H ' ' HB3' ' A' ' 10' ' ' SER . 76.0 m-20 -67.35 -61.18 2.04 Favored 'General case' 0 CA--C 1.563 1.473 1 N-CA-C 98.818 -4.512 . . . . 11.1 98.818 172.362 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . 0.503 ' H ' ' CB ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -61.82 -40.72 96.27 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 126.065 2.103 . . . . 13.92 111.842 177.778 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . 0.755 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 99.5 t -73.25 -41.35 57.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 CA-C-O 116.832 -1.556 . . . . 10.71 114.62 -178.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . 0.934 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 11.1 t -68.16 -38.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 O-C-N 126.462 2.351 . . . . 9.29 107.7 -178.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . 0.66 ' C ' HD22 ' A' ' 20' ' ' ASN . . . -76.61 -25.54 53.98 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 116.241 1.941 . . . . 9.6 116.241 -177.022 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.664 ' O ' ' HD3' ' A' ' 17' ' ' LYS . 5.3 tmtm? -102.21 -23.83 13.98 Favored 'General case' 0 C--O 1.259 1.573 0 O-C-N 125.408 1.693 . . . . 10.73 112.968 -175.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 69' ' ' CYS . 70.9 m-85 -129.42 -50.32 1.18 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.379 1.622 . . . . 10.2 115.379 -179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CYS . . . . . 0.934 ' HB2' ' HA ' ' A' ' 15' ' ' VAL . 67.8 m -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 117.893 2.553 . . . . 8.96 117.893 -176.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . 0.66 HD22 ' C ' ' A' ' 16' ' ' ALA . 5.0 p30 -47.82 -56.47 7.38 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 130.104 3.362 . . . . 13.36 114.592 -179.182 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' N ' ' OD1' ' A' ' 20' ' ' ASN . . . -37.01 -33.45 0.05 Allowed 'General case' 0 C--O 1.272 2.251 0 N-CA-C 117.913 2.56 . . . . 10.1 117.913 -175.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 m -126.17 -38.95 2.11 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 125.869 1.981 . . . . 9.35 112.781 -178.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HIS . . . . . 0.529 ' O ' ' HA ' ' A' ' 32' ' ' LYS . 92.7 m-70 -72.21 -26.33 62.0 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 125.281 1.613 . . . . 9.36 111.923 -176.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.99 -62.05 4.77 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.191 -1.563 . . . . 9.95 109.191 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 p -68.87 -73.21 0.15 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 125.924 1.602 . . . . 10.49 107.239 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.16 18.42 0.35 Allowed Glycine 0 CA--C 1.558 2.772 0 N-CA-C 103.953 -3.659 . . . . 10.7 103.953 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . 0.72 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -50.53 119.94 4.22 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 111.732 -2.234 . . . . 10.38 112.62 -178.828 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . 0.72 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 84.32 6.93 0.58 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.648 -1.16 . . . . 8.9 112.878 178.479 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 21.6 m120 85.48 24.44 0.08 Allowed 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 127.262 2.225 . . . . 6.82 110.365 179.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . . . -63.14 118.71 45.65 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 113.391 -1.731 . . . . 8.87 109.059 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HG3' ' NH1' ' A' ' 42' ' ' ARG . 12.3 Cg_endo -51.23 112.32 0.77 Allowed 'Trans proline' 0 C--N 1.308 -1.573 0 O-C-N 126.469 2.826 . . . . 9.1 106.966 176.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 2.2 mttt -67.65 159.18 30.51 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 126.948 2.099 . . . . 12.6 113.865 -177.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 t -75.94 125.23 35.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 113.31 -1.768 . . . . 10.62 115.468 -175.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.26 -19.05 56.0 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 108.6 -1.8 . . . . 13.2 108.6 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -65.21 72.89 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.821 1.296 . . . . 11.29 111.007 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 t -42.61 -47.2 5.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 113.179 -1.828 . . . . 11.06 112.618 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -78.95 0.02 OUTLIER 'General case' 0 C--O 1.258 1.514 0 O-C-N 124.876 1.36 . . . . 12.32 113.519 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -33.14 -52.72 0.36 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.93 1.292 . . . . 11.01 114.085 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TRP . . . . . 0.588 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 93.5 m95 -64.76 -28.51 69.63 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 114.633 -1.167 . . . . 10.44 112.985 -177.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.636 ' NZ ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -66.1 -55.91 14.14 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 124.863 1.265 . . . . 11.0 113.663 -177.841 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -16.89 60.13 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 123.449 1.595 . . . . 9.78 109.069 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -73.52 -57.9 3.68 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 127.196 2.198 . . . . 10.87 111.669 176.141 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.23 81.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.453 2.97 . . . . 9.93 106.277 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . 0.636 ' OD1' ' NZ ' ' A' ' 40' ' ' LYS . 14.5 m-20 -45.1 -57.35 3.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.201 -2.272 . . . . 10.98 109.565 -179.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.13 67.88 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 127.25 2.22 . . . . 9.94 114.913 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . 0.601 ' HB3' ' HA3' ' A' ' 51' ' ' GLY . 29.3 mttm -120.47 26.85 8.92 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 117.924 2.564 . . . . 10.32 117.924 -177.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.19 44.87 97.58 Favored Glycine 0 N--CA 1.434 -1.487 0 N-CA-C 121.975 3.55 . . . . 10.72 121.975 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.07 16.39 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 125.74 2.856 . . . . 11.48 115.997 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . 0.609 ' CD1' ' HG3' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -65.91 -2.64 4.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.976 2.91 . . . . 11.96 111.33 -179.574 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.91 93.73 3.91 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 102.246 -3.242 . . . . 13.07 102.246 176.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . 0.743 ' O ' ' HB2' ' A' ' 55' ' ' GLN . . . 160.63 -10.38 0.14 Allowed Glycine 0 C--N 1.288 -2.117 1 N-CA-C 102.739 -4.144 . . . . 13.28 102.739 -177.93 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . 0.462 ' HB3' ' CMA' ' A' ' 1' ' ' HEM . 7.3 mt -108.49 -42.75 4.48 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 127.483 2.519 . . . . 11.67 104.505 178.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . 0.656 HD12 HD12 ' A' ' 77' ' ' LEU . 22.4 tp -75.93 -46.89 27.53 Favored 'General case' 0 C--O 1.264 1.851 0 O-C-N 127.107 2.754 . . . . 11.53 108.237 -179.383 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.27 67.66 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 127.577 3.048 . . . . 9.92 105.263 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . 0.743 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -78.53 -46.61 19.11 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-N 113.277 -1.783 . . . . 10.24 114.091 -179.959 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . 0.693 ' HB2' HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -62.32 -46.28 89.43 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 126.689 2.493 . . . . 10.59 111.136 -178.169 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -52.73 -39.63 62.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 125.452 1.72 . . . . 10.62 113.085 -179.95 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' PRO . 1.1 t -80.27 -44.79 19.04 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 112.867 -1.97 . . . . 9.02 108.745 -178.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.38 159.67 31.88 Favored Glycine 0 N--CA 1.477 1.399 0 CA-C-N 112.159 -2.291 . . . . 9.22 108.624 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . 0.46 HD22 ' OE1' ' A' ' 55' ' ' GLN . 2.7 tp -149.07 111.5 4.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 123.791 1.758 . . . . 9.56 112.797 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 62.29 -83.03 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.841 2.456 . . . . 11.12 117.446 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.67 -11.14 11.03 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 122.465 1.126 . . . . 10.72 109.442 -175.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' MET . . . . . 0.871 ' HE1' ' HA2' ' A' ' 67' ' ' GLY . 4.4 tpt -79.9 115.22 52.49 Favored Pre-proline 0 N--CA 1.487 1.394 1 N-CA-C 98.591 -4.596 . . . . 9.73 98.591 173.705 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . 0.618 ' HG3' HBC2 ' A' ' 1' ' ' HEM . 17.7 Cg_endo -70.75 144.37 48.57 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 126.877 3.041 . . . . 10.83 107.257 -179.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 58' ' ' SER . 11.6 Cg_endo -59.46 143.04 99.81 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 O-C-N 124.708 1.899 . . . . 11.89 113.929 -178.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 68' ' ' THR . 64.4 tttt 66.8 49.11 1.26 Allowed 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 128.833 2.853 . . . . 13.21 110.864 -179.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . 0.911 ' HA3' HBB2 ' A' ' 1' ' ' HEM . . . 56.26 -64.83 0.01 OUTLIER Glycine 0 N--CA 1.5 2.941 1 CA-C-O 131.272 5.929 . . . . 13.73 103.999 -178.101 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . 0.86 ' N ' ' O ' ' A' ' 66' ' ' LYS 0.426 0.7 OUTLIER 128.64 165.57 0.0 OUTLIER 'General case' 0 N--CA 1.398 -3.069 3 C-N-CA 142.186 8.194 . . . . 12.76 104.627 177.42 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 69' ' ' CYS . . . . . 0.787 ' N ' ' OG1' ' A' ' 68' ' ' THR 0.413 3.2 p 90.07 96.74 0.02 OUTLIER 'General case' 0 CA--C 1.625 3.862 2 N-CA-C 88.407 -8.368 . . . . 10.32 88.407 -164.794 44.186 69.522 -12.18 140.857 1.991 125.005 82.946 -79.408 4 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . 0.559 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . . . -81.33 13.33 2.99 Favored 'General case' 0 C--N 1.315 -0.903 1 CA-C-N 105.871 -5.149 . . . . 11.77 103.022 178.89 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . 0.603 ' H ' ' C ' ' A' ' 69' ' ' CYS . 0.8 OUTLIER -99.32 -46.86 5.37 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 127.102 2.161 . . . . 15.78 109.619 -179.251 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' CYS . . . . . 0.402 ' HA ' ' OE2' ' A' ' 76' ' ' GLU . 24.6 m -38.08 143.01 0.14 Allowed 'General case' 0 N--CA 1.433 -1.286 0 N-CA-C 116.749 2.129 . . . . 10.77 116.749 -177.447 -79.408 82.946 -12.18 125.005 1.991 140.857 69.522 44.186 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . 0.666 ' OG ' ' OD2' ' A' ' 75' ' ' ASP . 9.0 p -86.41 179.38 6.88 Favored 'General case' 0 N--CA 1.502 2.155 1 N-CA-C 99.866 -4.124 . . . . 10.71 99.866 173.509 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -28.14 56.97 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 125.599 1.812 . . . . 11.19 110.472 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . 0.666 ' OD2' ' OG ' ' A' ' 73' ' ' SER . 23.2 p-10 -69.0 -28.08 66.27 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 125.612 1.565 . . . . 13.24 112.522 -179.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . 0.752 ' HG2' ' HB3' ' A' ' 8' ' ' ALA . 1.8 mt-10 -82.95 -35.29 26.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 125.358 1.661 . . . . 11.14 111.829 -178.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 56' ' ' SER 0.259 0.2 OUTLIER -66.31 -30.22 70.59 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 111.141 -2.754 . . . . 10.08 108.532 -178.144 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . 0.609 ' HG3' ' CD1' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -84.79 -29.56 25.31 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.919 -1.491 . . . . 9.07 112.173 -177.61 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 5' ' ' GLY . . . -76.31 -26.66 56.04 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 124.367 1.042 . . . . 8.43 109.758 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' HB2' ' HA2' ' A' ' 11' ' ' GLY . . . -89.88 -12.78 37.96 Favored 'General case' 0 C--N 1.314 -0.949 0 O-C-N 126.259 2.225 . . . . 8.71 108.716 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . 0.823 ' O ' ' HB2' ' A' ' 85' ' ' SER . 25.2 mt -90.61 -43.04 14.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 N-CA-C 102.78 -3.044 . . . . 9.03 102.78 177.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.1 -41.38 60.44 Favored Glycine 0 N--CA 1.476 1.365 0 O-C-N 127.114 2.759 . . . . 10.06 110.164 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . 0.868 ' HB2' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -99.02 10.63 41.08 Favored 'General case' 0 C--O 1.279 2.613 0 N-CA-C 118.829 2.9 . . . . 12.62 118.829 -179.389 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 84' ' ' MET . . . . . 0.448 ' HB2' ' HE3' ' A' ' 84' ' ' MET . 20.6 mtm -99.75 -40.43 7.75 Favored 'General case' 0 C--N 1.3 -1.573 2 CA-C-O 128.7 4.095 . . . . 11.13 100.097 175.002 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . 0.823 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -65.53 -58.43 5.81 Favored 'General case' 0 N--CA 1.413 -2.302 2 C-N-CA 133.476 4.71 . . . . 10.81 122.005 -176.433 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . 0.764 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . 114.02 -62.88 0.31 Allowed Glycine 1 N--CA 1.524 4.555 1 N-CA-C 94.402 -7.479 . . . . 13.25 94.402 -171.182 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . 0.764 ' HB2' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.165 0 CA-C-O 112.345 -3.693 . . . . 13.08 106.31 175.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HEM . . . . . 0.911 HBB2 ' HA3' ' A' ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.868 ' N ' ' HB2' ' A' ' 83' ' ' LYS . . . . . . . . 0 N--CA 1.513 3.781 2 N-CA-C 97.198 -6.361 . . . . 12.08 97.198 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.781 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . -18.03 -155.35 0.0 OUTLIER Glycine 0 C--N 1.284 -2.321 0 O-C-N 127.752 2.678 . . . . 11.89 115.733 175.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.81 -2.63 3.84 Favored Glycine 2 CA--C 1.432 -5.103 2 N-CA-C 128.055 5.982 . . . . 12.84 128.055 -171.072 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.752 ' HB3' ' HG2' ' A' ' 76' ' ' GLU 0.255 . . -68.61 99.04 0.94 Allowed 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 124.15 3.975 . . . . 12.25 110.768 -175.128 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.73 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 97.86 -53.57 0.0 OUTLIER 'General case' 0 C--N 1.271 -2.819 1 N-CA-C 100.057 -4.053 . . . . 12.63 100.057 169.538 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.596 ' HB3' ' H ' ' A' ' 12' ' ' ASP 0.274 2.6 m 168.05 -106.07 0.0 OUTLIER 'General case' 0 CA--C 1.511 -0.556 1 CA-C-N 107.467 -4.424 . . . . 12.46 113.022 175.614 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.755 ' HA2' ' HB ' ' A' ' 14' ' ' VAL . . . 141.01 -28.47 2.38 Favored Glycine 0 C--N 1.272 -3.019 1 N-CA-C 93.914 -7.674 . . . . 14.02 93.914 -171.343 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.596 ' H ' ' HB3' ' A' ' 10' ' ' SER . 76.0 m-20 -67.35 -61.18 2.04 Favored 'General case' 0 CA--C 1.563 1.473 1 N-CA-C 98.818 -4.512 . . . . 11.1 98.818 172.362 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.503 ' H ' ' CB ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -61.82 -40.72 96.27 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 126.065 2.103 . . . . 13.92 111.842 177.778 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.755 ' HB ' ' HA2' ' A' ' 11' ' ' GLY . 99.5 t -73.25 -41.35 57.98 Favored 'Isoleucine or valine' 0 C--O 1.255 1.372 0 CA-C-O 116.832 -1.556 . . . . 10.71 114.62 -178.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.934 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 11.1 t -68.16 -38.0 79.01 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 O-C-N 126.462 2.351 . . . . 9.29 107.7 -178.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.66 ' C ' HD22 ' A' ' 20' ' ' ASN . . . -76.61 -25.54 53.98 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 116.241 1.941 . . . . 9.6 116.241 -177.022 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.664 ' O ' ' HD3' ' A' ' 17' ' ' LYS . 5.3 tmtm? -102.21 -23.83 13.98 Favored 'General case' 0 C--O 1.259 1.573 0 O-C-N 125.408 1.693 . . . . 10.73 112.968 -175.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 69' ' ' CYS . 70.9 m-85 -129.42 -50.32 1.18 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.379 1.622 . . . . 10.2 115.379 -179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.934 ' HB2' ' HA ' ' A' ' 15' ' ' VAL . 67.8 m -71.32 -21.94 61.99 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 117.893 2.553 . . . . 8.96 117.893 -176.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.66 HD22 ' C ' ' A' ' 16' ' ' ALA . 5.0 p30 -47.82 -56.47 7.38 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 130.104 3.362 . . . . 13.36 114.592 -179.182 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' N ' ' OD1' ' A' ' 20' ' ' ASN . . . -37.01 -33.45 0.05 Allowed 'General case' 0 C--O 1.272 2.251 0 N-CA-C 117.913 2.56 . . . . 10.1 117.913 -175.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.4 m -126.17 -38.95 2.11 Favored 'General case' 0 C--O 1.247 0.942 0 O-C-N 125.869 1.981 . . . . 9.35 112.781 -178.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.529 ' O ' ' HA ' ' A' ' 32' ' ' LYS . 92.7 m-70 -72.21 -26.33 62.0 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 125.281 1.613 . . . . 9.36 111.923 -176.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.99 -62.05 4.77 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.191 -1.563 . . . . 9.95 109.191 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.2 p -68.87 -73.21 0.15 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 125.924 1.602 . . . . 10.49 107.239 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.16 18.42 0.35 Allowed Glycine 0 CA--C 1.558 2.772 0 N-CA-C 103.953 -3.659 . . . . 10.7 103.953 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.72 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -50.53 119.94 4.22 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 111.732 -2.234 . . . . 10.38 112.62 -178.828 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.72 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER 84.32 6.93 0.58 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.648 -1.16 . . . . 8.9 112.878 178.479 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 21.6 m120 85.48 24.44 0.08 Allowed 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 127.262 2.225 . . . . 6.82 110.365 179.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' HA ' ' HD2' ' A' ' 31' ' ' PRO . . . -63.14 118.71 45.65 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 113.391 -1.731 . . . . 8.87 109.059 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.424 ' HG3' ' NH1' ' A' ' 42' ' ' ARG . 12.3 Cg_endo -51.23 112.32 0.77 Allowed 'Trans proline' 0 C--N 1.308 -1.573 0 O-C-N 126.469 2.826 . . . . 9.1 106.966 176.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 2.2 mttt -67.65 159.18 30.51 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 126.948 2.099 . . . . 12.6 113.865 -177.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.9 t -75.94 125.23 35.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 113.31 -1.768 . . . . 10.62 115.468 -175.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.26 -19.05 56.0 Favored Glycine 0 N--CA 1.475 1.295 0 N-CA-C 108.6 -1.8 . . . . 13.2 108.6 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -65.21 72.89 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.821 1.296 . . . . 11.29 111.007 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 t -42.61 -47.2 5.19 Favored 'General case' 0 C--O 1.247 0.96 0 CA-C-N 113.179 -1.828 . . . . 11.06 112.618 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.02 -78.95 0.02 OUTLIER 'General case' 0 C--O 1.258 1.514 0 O-C-N 124.876 1.36 . . . . 12.32 113.519 178.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -33.14 -52.72 0.36 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 124.93 1.292 . . . . 11.01 114.085 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.588 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 93.5 m95 -64.76 -28.51 69.63 Favored 'General case' 0 C--O 1.247 0.95 0 CA-C-N 114.633 -1.167 . . . . 10.44 112.985 -177.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.636 ' NZ ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -66.1 -55.91 14.14 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 124.863 1.265 . . . . 11.0 113.663 -177.841 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.81 -16.89 60.13 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 123.449 1.595 . . . . 9.78 109.069 -177.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -73.52 -57.9 3.68 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 127.196 2.198 . . . . 10.87 111.669 176.141 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.23 81.63 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 127.453 2.97 . . . . 9.93 106.277 178.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.636 ' OD1' ' NZ ' ' A' ' 40' ' ' LYS . 14.5 m-20 -45.1 -57.35 3.94 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.201 -2.272 . . . . 10.98 109.565 -179.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.13 67.88 Favored 'General case' 0 C--O 1.249 1.062 0 C-N-CA 127.25 2.22 . . . . 9.94 114.913 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.601 ' HB3' ' HA3' ' A' ' 51' ' ' GLY . 29.3 mttm -120.47 26.85 8.92 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 117.924 2.564 . . . . 10.32 117.924 -177.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.19 44.87 97.58 Favored Glycine 0 N--CA 1.434 -1.487 0 N-CA-C 121.975 3.55 . . . . 10.72 121.975 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.91 -162.07 16.39 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-O 125.74 2.856 . . . . 11.48 115.997 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.609 ' CD1' ' HG3' ' A' ' 78' ' ' LYS . 0.2 OUTLIER -65.91 -2.64 4.08 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 128.976 2.91 . . . . 11.96 111.33 -179.574 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.91 93.73 3.91 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 102.246 -3.242 . . . . 13.07 102.246 176.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.743 ' O ' ' HB2' ' A' ' 55' ' ' GLN . . . 160.63 -10.38 0.14 Allowed Glycine 0 C--N 1.288 -2.117 1 N-CA-C 102.739 -4.144 . . . . 13.28 102.739 -177.93 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.462 ' HB3' ' CMA' ' A' ' 1' ' ' HEM . 7.3 mt -108.49 -42.75 4.48 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 127.483 2.519 . . . . 11.67 104.505 178.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.656 HD12 HD12 ' A' ' 77' ' ' LEU . 22.4 tp -75.93 -46.89 27.53 Favored 'General case' 0 C--O 1.264 1.851 0 O-C-N 127.107 2.754 . . . . 11.53 108.237 -179.383 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.97 -24.27 67.66 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 127.577 3.048 . . . . 9.92 105.263 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.743 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 2.6 tm0? -78.53 -46.61 19.11 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-N 113.277 -1.783 . . . . 10.24 114.091 -179.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . 0.693 ' HB2' HD11 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -62.32 -46.28 89.43 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 126.689 2.493 . . . . 10.59 111.136 -178.169 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -52.73 -39.63 62.29 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 125.452 1.72 . . . . 10.62 113.085 -179.95 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 65' ' ' PRO . 1.1 t -80.27 -44.79 19.04 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 112.867 -1.97 . . . . 9.02 108.745 -178.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.38 159.67 31.88 Favored Glycine 0 N--CA 1.477 1.399 0 CA-C-N 112.159 -2.291 . . . . 9.22 108.624 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD22 HE22 ' A' ' 55' ' ' GLN . 2.7 tp -149.07 111.5 4.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 123.791 1.758 . . . . 9.56 112.797 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 62.29 -83.03 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.841 2.456 . . . . 11.12 117.446 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.67 -11.14 11.03 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 122.465 1.126 . . . . 10.72 109.442 -175.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' MET . . . . . 0.871 ' HE1' ' HA2' ' A' ' 67' ' ' GLY . 4.4 tpt -79.9 115.22 52.49 Favored Pre-proline 0 N--CA 1.487 1.394 1 N-CA-C 98.591 -4.596 . . . . 9.73 98.591 173.705 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.618 ' HG3' HBC2 ' A' ' 1' ' ' HEM . 17.7 Cg_endo -70.75 144.37 48.57 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 O-C-N 126.877 3.041 . . . . 10.83 107.257 -179.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 58' ' ' SER . 11.6 Cg_endo -59.46 143.04 99.81 Favored 'Trans proline' 0 C--N 1.32 -0.936 0 O-C-N 124.708 1.899 . . . . 11.89 113.929 -178.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.86 ' O ' ' N ' ' A' ' 68' ' ' THR . 64.4 tttt 66.8 49.11 1.26 Allowed 'General case' 0 C--N 1.309 -1.162 0 C-N-CA 128.833 2.853 . . . . 13.21 110.864 -179.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.911 ' HA3' HBB2 ' A' ' 1' ' ' HEM . . . 56.26 -64.83 0.01 OUTLIER Glycine 0 N--CA 1.5 2.941 1 CA-C-O 131.272 5.929 . . . . 13.73 103.999 -178.101 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . 0.86 ' N ' ' O ' ' A' ' 66' ' ' LYS 0.426 0.7 OUTLIER 128.64 165.57 0.0 OUTLIER 'General case' 0 N--CA 1.398 -3.069 3 C-N-CA 142.186 8.194 . . . . 12.76 104.627 177.42 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.787 ' N ' ' OG1' ' A' ' 68' ' ' THR 0.413 3.2 p 90.07 96.74 0.02 OUTLIER 'General case' 0 CA--C 1.625 3.862 2 N-CA-C 88.407 -8.368 . . . . 10.32 88.407 -164.794 44.186 69.522 -12.18 140.857 1.991 125.005 82.946 -79.408 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.559 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . . . -81.33 13.33 2.99 Favored 'General case' 0 C--N 1.315 -0.903 1 CA-C-N 105.871 -5.149 . . . . 11.77 103.022 178.89 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.603 ' H ' ' C ' ' A' ' 69' ' ' CYS . 0.8 OUTLIER -99.32 -46.86 5.37 Favored 'General case' 0 C--N 1.31 -1.118 0 C-N-CA 127.102 2.161 . . . . 15.78 109.619 -179.251 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.402 ' HA ' ' OE2' ' A' ' 76' ' ' GLU . 24.6 m -38.08 143.01 0.14 Allowed 'General case' 0 N--CA 1.433 -1.286 0 N-CA-C 116.749 2.129 . . . . 10.77 116.749 -177.447 -79.408 82.946 -12.18 125.005 1.991 140.857 69.522 44.186 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . 0.666 ' OG ' ' OD2' ' A' ' 75' ' ' ASP . 9.0 p -86.41 179.38 6.88 Favored 'General case' 0 N--CA 1.502 2.155 1 N-CA-C 99.866 -4.124 . . . . 10.71 99.866 173.509 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -28.14 56.97 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 125.599 1.812 . . . . 11.19 110.472 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.666 ' OD2' ' OG ' ' A' ' 73' ' ' SER . 23.2 p-10 -69.0 -28.08 66.27 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 125.612 1.565 . . . . 13.24 112.522 -179.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.752 ' HG2' ' HB3' ' A' ' 8' ' ' ALA . 1.8 mt-10 -82.95 -35.29 26.11 Favored 'General case' 0 C--N 1.309 -1.188 0 O-C-N 125.358 1.661 . . . . 11.14 111.829 -178.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 56' ' ' SER 0.259 0.2 OUTLIER -66.31 -30.22 70.59 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 111.141 -2.754 . . . . 10.08 108.532 -178.144 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.609 ' HG3' ' CD1' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -84.79 -29.56 25.31 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 113.919 -1.491 . . . . 9.07 112.173 -177.61 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 5' ' ' GLY . . . -76.31 -26.66 56.04 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 124.367 1.042 . . . . 8.43 109.758 179.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.481 ' HB2' ' HA2' ' A' ' 11' ' ' GLY . . . -89.88 -12.78 37.96 Favored 'General case' 0 C--N 1.314 -0.949 0 O-C-N 126.259 2.225 . . . . 8.71 108.716 179.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.823 ' O ' ' HB2' ' A' ' 85' ' ' SER . 25.2 mt -90.61 -43.04 14.33 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.052 0 N-CA-C 102.78 -3.044 . . . . 9.03 102.78 177.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.1 -41.38 60.44 Favored Glycine 0 N--CA 1.476 1.365 0 O-C-N 127.114 2.759 . . . . 10.06 110.164 177.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.868 ' HB2' ' N ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -99.02 10.63 41.08 Favored 'General case' 0 C--O 1.279 2.613 0 N-CA-C 118.829 2.9 . . . . 12.62 118.829 -179.389 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' MET . . . . . 0.448 ' HB2' ' HE3' ' A' ' 84' ' ' MET . 20.6 mtm -99.75 -40.43 7.75 Favored 'General case' 0 C--N 1.3 -1.573 2 CA-C-O 128.7 4.095 . . . . 11.13 100.097 175.002 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . 0.823 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -65.53 -58.43 5.81 Favored 'General case' 0 N--CA 1.413 -2.302 2 C-N-CA 133.476 4.71 . . . . 10.81 122.005 -176.433 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.764 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . 114.02 -62.88 0.31 Allowed Glycine 1 N--CA 1.524 4.555 1 N-CA-C 94.402 -7.479 . . . . 13.25 94.402 -171.182 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.764 ' HB2' ' O ' ' A' ' 86' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.27 2.165 0 CA-C-O 112.345 -3.693 . . . . 13.08 106.31 175.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HEM . . . . . 0.911 HBB2 ' HA3' ' A' ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_