data_2do4_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 2do4 _Structure_validation_residue.Date_analyzed 2016-10-07 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 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.45 149.02 10.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 7.1 mt -127.45 150.17 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 806' ' ' SER . 56.3 t80 -123.77 128.33 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.4 mt -125.3 122.54 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 89.4 p -119.08 158.66 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 78.56 50.4 6.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 30.6 mt -110.91 144.04 29.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -43.66 -37.61 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 812' ' ' CYS . 21.2 t -54.08 -46.67 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 811' ' ' SER . 45.6 t -37.71 142.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 12.9 t -125.79 155.19 41.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 815' ' ' GLU . 11.9 tttp -46.76 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 814' ' ' LYS . 34.8 mt-10 -35.53 -57.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 27.6 mt-10 -43.56 -62.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.08 -36.27 70.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.38 -57.85 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.3 pt-20 -56.19 -38.32 70.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 64.4 mt -71.93 -33.26 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 65.2 m -69.47 -51.27 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -61.52 -10.17 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -71.7 -24.21 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -95.22 -48.67 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.09 -154.1 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 96.4 m -84.86 124.57 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.59 101.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 828' ' ' LYS . 2.8 mmmp? -66.46 -47.26 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -161.96 153.16 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.6 tt -139.58 131.53 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -135.27 143.51 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . 0.435 HD13 ' CA ' ' A' ' 814' ' ' LYS . 12.7 mt -115.14 119.59 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.75 106.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 25.8 p -104.05 170.14 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 839' ' ' LYS . 51.4 t30 -96.75 177.79 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -58.21 -29.55 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.4 -3.3 57.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 91.15 17.71 49.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 835' ' ' ASN . 5.3 mmmm -91.55 143.68 28.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -77.49 -3.98 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.18 -27.28 20.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 23.6 mt -81.82 143.09 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.0 23.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -108.06 147.42 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.94 151.08 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -131.25 123.04 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.1 172.53 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -88.11 -42.03 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -111.57 -179.09 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -95.4 -44.66 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 27.3 t -56.57 -41.39 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.8 -54.1 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -54.96 -45.83 74.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.1 t -51.64 -53.51 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.09 -51.76 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -56.68 -33.69 66.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 96.1 t -72.12 -38.49 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 2.2 mtp -67.8 -29.03 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -89.44 -57.95 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.438 ' CB ' HG23 ' A' ' 873' ' ' VAL . 27.9 mtt -55.46 -35.86 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 6.8 t70 -52.24 112.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.68 48.84 47.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.3 ptm -110.58 149.39 30.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.0 m -90.51 129.03 36.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.05 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 57.25 34.91 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 74.5 48.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -158.16 114.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 870' ' ' ILE . 1.9 mp -70.95 111.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.83 145.2 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 35.7 tttp -111.59 149.34 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.446 ' N ' ' HG2' ' A' ' 872' ' ' LYS . 25.6 t -115.7 157.91 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -159.9 129.95 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 30.8 mm -61.82 115.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 52.0 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 37.9 mttp -61.81 150.61 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 854' ' ' ALA . 6.7 mt -122.27 149.1 44.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -123.91 118.51 27.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.48 151.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 25.1 p -148.38 154.08 39.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.04 16.1 65.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.406 HD21 ' CG2' ' A' ' 871' ' ' ILE . 36.0 mt -74.65 142.81 77.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.17 18.88 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -46.34 -44.34 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 7.7 t -43.82 -51.8 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.6 154.6 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -141.61 -178.81 5.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -54.89 -47.37 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.8 -60.27 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.66 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 818' ' ' GLU . 13.7 tp -44.99 -64.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 817' ' ' LEU . 40.3 tt0 -35.64 -57.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.71 -59.35 3.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 98.2 mt -48.04 -36.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 99.4 m -71.11 -36.6 72.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -61.19 -21.1 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.95 -41.94 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -70.18 -39.44 75.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -173.23 -150.99 7.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 40.8 m -93.95 126.29 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.52 106.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.44 -48.39 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.89 156.93 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.6 tt -145.35 129.04 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -132.75 140.31 48.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 15.9 mt -115.84 137.23 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.02 94.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 1.3 p -95.07 176.68 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.09 173.09 8.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -56.17 -26.32 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.96 28.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 105.82 5.0 39.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -77.07 143.7 70.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 136.61 33.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -105.62 -14.0 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 106.32 -24.11 26.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.43 127.01 33.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -139.04 137.44 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.42 ' CE2' ' OG ' ' A' ' 876' ' ' SER . 11.8 m-85 -108.53 142.66 38.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.11 151.14 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.5 109.69 9.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.52 -179.74 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' A' ' 849' ' ' GLU . 6.6 tm-20 -89.26 -48.17 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -108.82 164.85 12.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.87 -45.39 24.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 40.5 t -52.37 -53.26 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -50.11 -50.36 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . 0.43 ' HB3' ' CD2' ' A' ' 803' ' ' LEU . . . -56.54 -50.11 72.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.9 t -49.66 -58.28 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.47 -55.03 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -52.66 -30.78 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 91.3 t -74.41 -40.05 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.72 -31.25 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -84.12 -55.99 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.46 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.3 mmm -57.45 -45.19 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -41.58 109.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 70.44 46.96 45.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.8 ptm -106.99 154.93 20.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.1 m -92.0 134.79 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 71.2 mt -148.71 108.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt 63.1 33.46 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 72.3 46.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -158.77 109.36 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.34 108.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.529 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 0.9 OUTLIER -93.22 139.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -104.0 142.03 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 861' ' ' MET . 58.2 t -119.49 156.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -158.09 150.6 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 42.1 mm -70.72 116.98 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 845' ' ' TYR . 2.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.37 149.52 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.431 HD23 ' CG2' ' A' ' 858' ' ' VAL . 6.0 mt -125.94 155.9 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -125.24 125.5 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 4.8 mt -122.41 132.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 4.5 t -127.27 167.17 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 69.84 40.47 75.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 94.0 mt -97.14 142.3 24.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -37.56 -35.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.6 m -53.39 -52.25 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.26 153.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 3.3 t -139.21 164.97 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.452 ' N ' HD12 ' A' ' 832' ' ' LEU . 6.3 tmtt? -46.57 -55.48 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -46.35 -57.58 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 31.7 mt-10 -47.74 -59.36 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 13.6 tp -54.58 -38.2 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.13 -60.23 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.1 pt-20 -53.1 -39.25 63.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 80.3 mt -70.84 -36.66 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 67.6 m -68.22 -55.23 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -57.53 -12.44 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.58 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.068 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -94.04 -59.3 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -139.07 -144.27 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 30.4 m -97.98 123.83 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.16 105.36 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.07 -50.05 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -148.88 152.18 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . 0.4 ' C ' HD21 ' A' ' 830' ' ' LEU . 2.6 tt -144.43 132.71 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.4 ' N ' HD21 ' A' ' 830' ' ' LEU . 36.5 ttp180 -137.73 155.09 49.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 814' ' ' LYS . 14.4 mt -121.03 132.72 55.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.74 106.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 76.3 p -112.72 -177.47 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -113.21 179.19 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -47.34 -24.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.28 -45.62 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 129.91 -6.77 6.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -65.38 143.3 98.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.16 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -80.8 -10.5 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.63 -21.26 26.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 32.8 mt -91.96 136.23 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.68 143.92 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -110.87 136.76 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.81 140.83 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -125.31 118.09 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -98.43 179.78 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -92.15 -45.69 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -120.76 162.61 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.69 -54.53 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.3 t -39.87 -60.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -48.8 -61.52 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -45.04 -59.62 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 3.4 t -39.79 -55.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -55.98 -51.99 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.73 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.431 ' CG2' HD23 ' A' ' 803' ' ' LEU . 74.8 t -73.22 -54.43 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.3 mtt -60.12 -20.83 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -92.35 -40.16 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 862' ' ' ASP . 3.8 mtt -78.3 -56.78 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.433 ' N ' HG21 ' A' ' 873' ' ' VAL . 0.4 OUTLIER -36.6 117.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.7 29.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.443 ' CG ' HG13 ' A' ' 871' ' ' ILE . 23.1 ptm -108.09 153.26 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.5 m -95.55 133.79 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 91.8 mt -146.96 114.44 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt 57.67 36.7 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.6 47.81 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -156.78 110.93 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.02 113.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.534 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -100.74 143.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . 0.418 ' C ' HG23 ' A' ' 873' ' ' VAL . 42.5 tttm -105.91 154.22 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 862' ' ' ASP . 42.2 t -137.82 146.25 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.43 155.84 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 876' ' ' SER . 28.6 mm -61.74 117.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 875' ' ' ILE . 8.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -61.86 161.93 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.442 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 8.6 mt -136.68 160.97 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -135.65 132.17 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 8.1 mt -125.77 149.77 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 78.1 p -143.84 150.5 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.96 41.84 9.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 39.5 mt -96.12 143.67 26.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 119.63 6.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -42.63 -34.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 46.4 m -54.21 -51.48 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 32.1 t -44.39 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.0 t -140.8 154.69 46.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -41.77 -57.52 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.8 -67.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.59 -66.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 818' ' ' GLU . 14.1 tp -46.1 -60.2 2.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 817' ' ' LEU . 29.0 tt0 -37.96 -60.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -48.33 -53.32 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.14 -38.67 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 72.4 m -69.99 -35.05 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.06 -23.16 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.92 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . 0.413 ' CD2' ' HB1' ' A' ' 857' ' ' ALA . 83.3 m-70 -66.48 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.37 -144.8 4.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 93.5 m -99.87 122.69 43.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 111.134 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 74.6 t -92.2 110.13 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -73.48 -50.65 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -150.18 160.62 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 3.5 tt -146.18 131.08 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -131.05 150.72 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 17.7 mt -119.45 130.57 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.15 117.05 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 35.9 p -120.96 -179.79 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.07 178.79 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -48.46 -21.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.98 -45.1 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.24 6.24 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -59.74 143.28 87.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -77.18 -9.24 58.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.33 -30.15 8.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.71 148.3 30.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -154.71 151.98 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -117.55 148.17 42.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.05 144.73 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -127.09 110.97 13.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.13 174.96 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.91 -40.25 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -116.41 170.91 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -80.58 -53.18 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 16.8 t -46.59 -43.3 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -50.33 -56.32 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -50.09 -61.5 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -42.42 -54.0 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 824' ' ' HIS . . . -57.38 -33.82 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 87.8 t -67.62 -40.68 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.22 -33.44 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' A' ' 860' ' ' LYS . 0.6 OUTLIER -78.69 -58.34 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 862' ' ' ASP . 27.4 mtt -59.75 -44.11 93.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -34.95 102.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 69.47 47.76 48.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 20.8 ptm -102.97 162.82 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 6.3 m -99.38 132.87 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.39 108.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 36.89 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 71.52 47.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -156.42 109.65 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 870' ' ' ILE . 1.8 mp -70.52 102.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.524 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 0.9 OUTLIER -91.06 143.89 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -105.92 143.9 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.415 HG21 ' C ' ' A' ' 861' ' ' MET . 25.6 t -124.86 144.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -149.11 155.74 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 19.5 mm -66.34 113.99 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 11.2 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . 0.529 ' CD2' ' HG3' ' A' ' 802' ' ' LYS . 16.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . 0.529 ' HG3' ' CD2' ' A' ' 801' ' ' HIS . 64.9 mttt -56.87 156.05 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 7.9 mt -123.76 155.74 37.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.426 ' CE1' HD22 ' A' ' 843' ' ' LEU . 21.6 t80 -128.39 110.06 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 3.7 mt -106.39 136.72 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 93.2 p -131.35 150.96 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 83.68 47.83 5.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 34.2 mt -99.67 143.41 26.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.82 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -43.8 -28.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 29.7 m -63.95 -47.19 81.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 42.7 t -43.17 149.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 5.0 t -138.86 156.96 46.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 832' ' ' LEU . 30.6 ttmt -42.4 -59.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -41.19 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -38.11 -63.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.2 tp -46.05 -53.35 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -47.74 -58.01 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -54.15 -37.41 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 60.6 mt -71.45 -32.57 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 91.8 m -75.14 -60.21 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -20.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.14 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -86.78 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -141.91 -150.52 5.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 99.6 m -100.69 117.58 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.36 101.26 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -64.61 -44.54 90.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -154.63 145.01 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.7 tt -135.26 127.39 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.436 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 6.8 ptp85 -130.67 146.84 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 814' ' ' LYS . 39.9 mt -114.63 125.72 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.75 139.5 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -148.16 -175.87 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.422 ' ND2' ' HD3' ' A' ' 841' ' ' LYS . 27.8 m-20 -114.02 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -49.0 -36.38 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.97 25.01 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.47 32.61 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -89.42 140.84 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.83 3.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.422 ' HD3' ' ND2' ' A' ' 835' ' ' ASN . 5.3 mtmp? -88.67 13.5 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.62 7.95 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . 0.426 HD22 ' CE1' ' A' ' 804' ' ' PHE . 36.2 mt -112.03 139.47 47.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.2 152.21 44.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.436 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.9 m-85 -120.81 138.65 53.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.72 150.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -134.51 113.86 12.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -98.31 178.7 4.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -48.57 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -120.73 -179.61 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.02 -52.83 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 3.1 t -38.22 -58.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.55 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -40.0 -44.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 45.0 t -57.57 -58.09 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.24 -54.66 12.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.13 54.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 72.5 t -70.72 -42.52 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.98 -24.0 67.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -93.47 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.444 ' HB3' ' CG2' ' A' ' 873' ' ' VAL . 17.5 mtt -56.92 -52.44 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 5.7 t0 -35.7 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.03 47.19 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 25.6 ptm -110.86 148.8 31.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.3 m -91.76 126.79 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 90.5 mt -134.81 107.65 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 43.8 mttm 59.68 48.13 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 63.08 38.59 10.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -150.68 111.69 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.5 mt -74.68 119.09 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.515 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -107.7 146.97 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -108.13 151.72 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 862' ' ' ASP . 15.4 t -132.56 140.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.28 144.93 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 19.8 mm -56.01 119.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -72.07 154.66 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 858' ' ' VAL . 14.1 mt -126.53 146.7 50.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -120.2 111.8 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 3.7 mt -109.73 144.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.468 ' CB ' HD21 ' A' ' 843' ' ' LEU . 95.7 p -146.68 154.3 41.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.14 54.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.26 142.76 55.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.85 52.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.8 -38.73 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 22.9 m -53.47 -50.24 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.7 152.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.7 t -157.46 173.16 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -41.31 -58.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -39.02 -62.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.15 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.6 tp -37.17 -62.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -43.77 -56.48 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -56.33 -30.54 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 55.2 mt -83.02 -25.36 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.65 -55.12 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -14.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.99 88.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 857' ' ' ALA . 87.0 m-70 -83.46 -49.08 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -145.72 -136.95 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.4 m -111.48 133.3 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 99.7 t -98.04 105.0 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . 0.418 ' HD2' ' CD ' ' A' ' 849' ' ' GLU . 6.0 mmpt? -74.11 -44.43 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -151.08 148.53 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.2 tt -142.09 132.12 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -136.0 148.48 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.71 125.71 51.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.25 90.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 33.1 p -103.99 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -92.83 -176.93 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -47.8 -39.94 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.09 33.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 43.5 35.34 2.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -87.47 143.58 34.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -93.53 -7.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.28 -19.25 49.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 806' ' ' SER . 84.0 mt -90.25 149.18 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.4 151.3 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -121.37 137.23 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 20.7 t -120.85 150.84 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -134.0 102.67 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -86.05 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . 0.418 ' CD ' ' HD2' ' A' ' 828' ' ' LYS . 7.0 tp10 -91.72 -39.47 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -124.71 161.54 26.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.02 -45.45 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 t -42.83 -60.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -49.14 -62.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -39.95 -47.91 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.6 t -59.1 -60.14 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -50.65 -55.7 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.418 ' HA ' ' CD2' ' A' ' 824' ' ' HIS . . . -47.86 -40.18 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.457 ' CG2' HD23 ' A' ' 803' ' ' LEU . 42.1 t -72.23 -52.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -55.76 -16.83 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -103.52 -34.6 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 862' ' ' ASP . 4.9 mtt -78.73 -54.44 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 861' ' ' MET . 9.0 p-10 -35.05 106.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.39 43.34 8.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 22.1 ptm -109.22 153.29 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -90.93 134.24 34.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 76.7 mt -146.38 105.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 66.45 36.16 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 70.72 42.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -155.09 114.11 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.0 mm -70.92 110.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 0.9 OUTLIER -98.29 144.54 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -104.86 154.09 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 25.3 t -134.51 149.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.75 158.73 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.0 mm -68.38 115.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 875' ' ' ILE . 3.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -61.85 174.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' A' ' 848' ' ' TYR . 10.4 mt -140.83 148.31 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 843' ' ' LEU . 12.4 t80 -122.53 108.17 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.8 mt -102.99 141.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.42 ' CB ' HD23 ' A' ' 843' ' ' LEU . 33.1 t -137.54 164.3 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 72.78 44.41 38.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.46 ' CD2' ' CG2' ' A' ' 871' ' ' ILE . 23.6 mt -106.91 142.3 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.49 14.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -40.33 -33.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 20.5 m -52.82 -54.17 38.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.1 t -44.89 155.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 1.7 t -139.13 171.51 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -56.24 -54.73 41.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -43.1 -66.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.74 -58.83 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 13.1 tp -49.41 -62.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -40.96 -59.98 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -46.85 -38.97 11.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 50.6 mt -74.27 -28.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.64 -55.86 5.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -52.08 -30.67 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.14 -33.12 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.02 -52.56 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.46 -148.39 4.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 81.4 m -97.69 122.55 40.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.2 t -88.42 101.56 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 828' ' ' LYS . 0.0 OUTLIER -68.96 -43.11 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -163.74 148.34 10.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.2 tt -133.78 132.41 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 1.4 ptm85 -134.81 148.95 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.95 150.8 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 12.9 t -105.78 84.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -100.89 -178.75 3.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 837' ' ' ALA . 3.5 p-10 -96.71 -176.21 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -49.24 -38.28 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 835' ' ' ASN . . . -93.96 34.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 44.0 42.6 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.05 143.78 26.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.06 17.38 23.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 68.22 21.69 74.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . 0.439 ' CD2' ' CE1' ' A' ' 804' ' ' PHE . 25.3 mt -127.37 137.23 52.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -142.42 156.57 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.435 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 8.3 m-85 -128.2 130.97 48.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.7 148.24 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -128.31 119.98 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . 0.484 ' CE1' HD12 ' A' ' 803' ' ' LEU . 15.6 m-85 -106.15 176.59 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.97 -50.48 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -108.55 175.11 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.02 -37.58 17.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 33.5 t -56.91 -49.13 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.96 -55.14 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.16 52.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.7 t -48.51 -60.26 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -45.74 -55.41 6.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.97 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 55.6 t -74.19 -37.96 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.09 -31.23 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -85.32 -60.62 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.434 ' CB ' HG22 ' A' ' 873' ' ' VAL . 36.3 mtt -53.21 -43.25 67.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 8.5 t0 -46.53 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.49 40.83 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 22.7 ptm -103.41 144.13 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.1 m -84.36 126.89 33.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 51.6 mt -135.07 119.02 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 49.72 45.33 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 63.71 49.28 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -162.16 112.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.18 115.23 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.515 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -104.66 139.72 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -105.23 156.09 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.434 HG22 ' CB ' ' A' ' 861' ' ' MET . 30.6 t -129.98 138.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -138.81 135.29 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 30.7 mm -56.8 119.43 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 46.4 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 54.8 mttt -46.25 159.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 6.3 mt -138.29 157.67 45.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 806' ' ' SER . 1.2 t80 -132.54 135.87 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 6.8 mt -130.16 132.61 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 98.6 p -128.5 151.63 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.02 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 27.1 mt -97.25 143.38 26.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.97 11.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -40.53 -34.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -52.82 59.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.22 159.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.0 t -147.81 165.96 28.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.13 -53.48 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -45.44 -64.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -44.63 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 12.5 tp -43.53 -62.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -43.68 -53.11 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -52.05 -39.49 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 40.3 mt -75.87 -29.43 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 62.1 m -70.37 -52.48 22.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -57.85 -13.49 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.15 -31.24 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -84.27 -41.27 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -159.45 -133.8 1.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 56.0 m -111.72 114.34 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 111.181 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.31 110.44 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . 0.409 ' CB ' ' OE1' ' A' ' 847' ' ' GLU . 28.1 mmmt -80.53 -45.57 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -158.39 142.32 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.8 tt -136.53 137.21 40.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.456 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 10.7 ptp180 -138.35 147.63 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 93.4 mt -111.55 143.93 41.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.1 t -90.49 128.09 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 34.7 p -120.28 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.92 176.97 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -50.51 -18.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.12 -46.85 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 133.83 -36.43 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -51.13 158.29 1.29 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.15 5.51 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -72.92 -11.37 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.19 -38.88 3.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 28.3 mt -69.96 136.43 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -135.52 138.23 42.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.456 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -110.45 141.4 43.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 67.2 t -129.24 153.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.409 ' OE1' ' CB ' ' A' ' 828' ' ' LYS . 3.4 tm-20 -138.54 108.49 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -90.33 -175.98 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.63 -47.87 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 43.0 p30 -122.56 -177.51 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.85 -44.13 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 8.1 t -47.02 -63.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.2 -52.59 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -48.92 -61.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -44.32 -61.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -44.63 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.64 78.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 55.2 t -65.38 -48.25 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 21.0 mmm -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -71.42 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.41 ' CB ' HG23 ' A' ' 873' ' ' VAL . 16.2 mtp -54.27 -34.22 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -49.79 114.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.56 61.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 19.3 ptm -107.04 162.73 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.355 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.2 m -95.34 137.1 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 95.5 mt -150.43 108.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 59.6 42.51 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 66.02 48.32 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -161.75 114.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mm -73.07 108.02 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -92.63 151.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -114.37 148.91 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 874' ' ' ALA . 92.6 t -119.58 158.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . 0.427 ' N ' ' CG1' ' A' ' 873' ' ' VAL . . . -159.56 146.18 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 23.4 mm -59.61 126.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 847' ' ' GLU . 39.8 p-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -79.16 153.95 29.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.5 mt -131.42 146.43 52.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 843' ' ' LEU . 1.4 t80 -119.42 127.39 53.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.7 mt -121.13 146.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 9.7 t -146.05 161.33 40.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 76.66 22.4 72.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.64 142.39 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 125.81 12.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -44.96 -29.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 26.2 t -55.26 -51.93 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 25.4 t -51.73 161.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 814' ' ' LYS . 12.0 t -145.65 163.87 33.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 813' ' ' THR . 15.2 tttm -37.52 -53.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 818' ' ' GLU . 36.1 mt-10 -49.94 -71.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.08 -58.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 6.0 tp -58.34 -29.13 65.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' GLU . 10.2 tm-20 -72.1 -59.53 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -49.75 -39.83 38.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 823' ' ' ALA . 70.9 mt -68.33 -46.24 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 62.2 m -57.17 -56.95 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 827' ' ' VAL . 0.1 OUTLIER -52.35 -17.97 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 820' ' ' ILE . . . -58.99 -40.14 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -76.77 -60.97 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -135.73 -133.46 3.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 19.3 m -110.55 123.24 49.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 822' ' ' LYS . 72.3 t -91.23 103.91 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -71.67 -54.58 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -144.35 148.09 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.8 tt -139.24 128.32 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.7 ptp180 -133.29 151.25 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 37.8 mt -114.1 126.09 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 95.1 t -77.01 100.22 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 22.9 p -111.45 -175.79 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.0 p-10 -100.7 -178.63 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -45.36 -39.69 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.36 30.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 45.44 33.56 4.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -86.42 143.19 36.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.16 10.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.81 -7.73 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.29 -23.6 31.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 804' ' ' PHE . 48.4 mt -81.39 144.68 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -147.12 150.98 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.47 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.5 m-85 -120.67 142.91 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 44.2 t -129.71 153.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 801' ' ' HIS . 0.0 OUTLIER -138.25 112.18 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.08 170.89 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -84.62 -50.34 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -105.41 157.36 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -72.58 -48.21 41.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 m -45.17 -52.85 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.78 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 23.2 t -52.78 -58.65 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.73 -56.81 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.81 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.462 ' CG2' HD22 ' A' ' 803' ' ' LEU . 99.9 t -72.88 -49.65 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.8 mtp -55.91 -16.93 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.92 -49.53 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 862' ' ' ASP . 7.8 mtt -65.54 -49.61 68.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.3 p-10 -34.52 108.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.06 48.48 20.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 28.6 ptm -108.56 147.92 31.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.1 m -87.15 132.17 33.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 82.6 mt -142.87 109.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? 58.7 41.7 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 67.05 39.94 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -151.29 106.19 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -68.36 115.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.54 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.21 145.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -111.13 141.44 44.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 25.1 t -121.45 152.73 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.04 145.53 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.34 121.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -61.83 145.78 51.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 14.8 mt -117.31 151.66 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -122.38 110.51 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.0 136.52 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 78.0 p -140.28 155.69 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.48 -3.79 66.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.72 143.45 93.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 164.75 33.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -75.77 -19.09 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 58.8 m -72.76 -41.06 65.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.2 154.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -142.07 158.07 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 815' ' ' GLU . 20.8 ttmt -39.2 -64.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 814' ' ' LYS . 43.9 mt-10 -36.0 -65.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -43.25 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.3 tp -42.19 -49.78 4.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -52.42 -58.45 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -49.56 -45.34 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 33.9 mt -68.9 -25.84 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.57 -56.59 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -55.82 -15.58 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.13 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -87.49 -56.8 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 853' ' ' GLN . . . -137.72 -134.64 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 85.9 m -115.28 119.33 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.79 115.0 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.55 -36.78 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.04 145.08 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 3.0 tt -140.25 128.9 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 9.8 ptp180 -131.89 147.6 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 92.3 mt -113.59 146.23 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 16.8 t -91.21 133.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 30.9 p -136.53 -178.21 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -119.6 -176.77 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.81 -14.18 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.23 -36.71 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 113.47 -25.28 11.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -60.37 143.94 88.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.8 18.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.386 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -91.33 -4.51 55.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 107.84 -38.48 3.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.53 139.99 57.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.7 157.2 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.426 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.5 m-85 -128.12 139.89 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 26.2 t -129.87 158.2 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -139.6 118.61 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -95.63 -175.15 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -101.96 -37.51 8.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.82 172.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -83.8 -46.23 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.4 t -56.06 -50.15 71.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . 0.426 ' OE1' ' CA ' ' A' ' 825' ' ' GLY . 33.0 mt-30 -50.68 -55.25 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -53.23 -55.96 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.9 t -45.7 -58.78 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -51.65 -52.03 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -48.68 -40.75 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 46.8 t -67.85 -45.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.6 -18.02 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 862' ' ' ASP . 5.1 mtt -82.16 -56.02 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 1.7 p-10 -34.42 113.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 75.26 44.04 23.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 28.3 ptm -108.09 154.09 22.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.5 m -97.43 135.23 39.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 60.3 mt -144.08 121.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt 49.53 38.65 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 69.7 49.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -161.66 111.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -72.64 117.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.2 pp -109.03 148.65 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -107.48 160.04 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 30.7 t -138.4 156.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -162.15 154.72 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.077 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 876' ' ' SER . 34.1 mm -58.31 124.29 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 875' ' ' ILE . 14.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 39.5 p-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 3.5 mtpm? -57.88 161.53 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.402 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 19.9 mt -130.65 151.3 51.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.51 ' O ' ' CD2' ' A' ' 804' ' ' PHE . 16.1 t80 -126.57 98.41 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.65 142.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 81.3 p -143.3 150.61 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.5 14.7 55.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 70.0 mt -75.26 141.77 74.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.76 31.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.42 -36.34 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 73.3 m -51.71 -50.87 59.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 18.6 t -51.96 159.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -142.95 165.11 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -38.39 -58.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -44.39 -67.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -39.64 -64.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.1 tp -47.2 -57.4 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -46.86 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -43.03 -40.2 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 64.7 mt -72.17 -42.63 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.37 -56.83 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.23 -17.74 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -83.38 -57.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -137.67 -130.49 2.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' THR . . . . . 0.438 ' N ' ' OE1' ' A' ' 853' ' ' GLN . 58.7 m -120.16 123.12 42.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.93 108.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.06 -37.66 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -165.67 140.27 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.08 133.2 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 832' ' ' LEU . 2.9 tpm_? -129.5 147.0 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 831' ' ' ARG . 15.6 mt -115.61 124.85 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.2 100.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.9 p -112.62 165.06 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 839' ' ' LYS . 0.2 OUTLIER -101.31 -174.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 -60.18 -10.15 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -95.83 2.26 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 62.21 27.52 69.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . 0.416 ' H ' ' ND2' ' A' ' 835' ' ' ASN . 26.9 mmtt -110.8 143.9 29.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.8 8.51 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.75 2.3 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 15.53 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 90.54 -32.11 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.31 139.59 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.12 33.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -118.3 137.24 53.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.61 142.61 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -124.58 124.97 43.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.89 -177.61 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.17 -47.86 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -123.68 -175.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -45.04 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 9.6 t -42.58 -57.36 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 826' ' ' THR . 34.0 mt-30 -53.47 -59.03 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -43.29 -47.67 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.1 t -56.21 -57.51 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . 0.439 ' C ' ' OE1' ' A' ' 856' ' ' GLN . 1.3 tm0? -50.44 -56.58 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -50.75 -34.79 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 98.5 t -71.65 -42.79 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.8 mtt -65.33 -22.01 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -60.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.454 ' HB3' ' CG2' ' A' ' 873' ' ' VAL . 7.0 mtt -55.99 -55.14 36.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 9.7 t70 -34.54 98.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.21 45.87 6.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 17.0 ptm -110.29 146.07 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.41 138.19 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 81.5 mt -147.55 110.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 55.35 45.31 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 64.59 45.42 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -158.0 110.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.41 120.69 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.516 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.2 pp -109.18 143.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -105.81 154.07 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 861' ' ' MET . 39.8 t -131.06 134.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -134.18 147.31 50.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 13.2 mm -67.8 105.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -62.65 148.94 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.7 mt -117.51 157.7 25.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -136.79 116.83 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 806' ' ' SER . 11.5 mt -111.71 144.25 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 805' ' ' ILE . 3.3 p -137.6 150.44 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.5 42.17 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 69.9 mt -97.78 144.05 27.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.19 27.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -50.76 -26.93 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.0 m -63.01 -50.92 68.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 33.6 t -41.41 162.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.8 t -158.37 157.83 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 815' ' ' GLU . 2.2 tppt? -35.76 -65.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 814' ' ' LYS . 22.0 mt-10 -34.59 -63.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -49.69 -66.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 820' ' ' ILE . 10.3 tp -46.71 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 817' ' ' LEU . 5.1 tt0 -37.37 -50.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -53.98 -42.96 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 817' ' ' LEU . 73.5 mt -69.57 -34.37 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.69 -59.26 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -13.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.62 -36.3 76.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -83.63 -54.0 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -146.9 -150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.9 m -90.52 133.64 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 64.6 t -102.92 109.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -80.41 -44.05 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -154.35 152.79 30.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.6 tt -148.53 125.34 11.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 12.7 ptm180 -129.47 148.36 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 26.5 mt -119.12 120.02 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.98 92.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 50.3 p -94.17 -176.05 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -108.9 -179.12 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.9 mtm-85 -53.63 -29.38 37.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.09 -28.08 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 120.56 -8.06 11.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 143.84 84.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.65 8.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -84.23 -15.95 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.85 7.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 15.2 mt -82.38 124.99 30.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -126.96 132.85 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.471 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.3 m-85 -106.61 137.6 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.6 154.43 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.43 110.21 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -92.1 -178.23 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.63 -34.27 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.75 152.6 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.85 -55.61 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 52.2 m -38.96 -58.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -47.7 -63.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -43.29 -53.35 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -46.72 -62.94 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -50.76 -56.17 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 861' ' ' MET . . . -46.77 -34.01 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.417 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -76.06 -49.14 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 56.0 mmm -57.48 -19.52 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -101.23 -44.72 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 857' ' ' ALA . 2.4 mmt -68.94 -51.84 35.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.447 ' N ' HG21 ' A' ' 873' ' ' VAL . 0.9 OUTLIER -40.5 114.26 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.48 45.62 36.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 20.9 ptm -107.63 154.64 21.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.8 m -95.86 118.66 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 86.4 mt -125.63 109.63 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.97 37.13 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 72.23 45.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -154.59 105.38 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.78 107.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.514 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -98.66 146.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 21.8 tttm -106.68 147.52 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 861' ' ' MET . 59.2 t -123.68 149.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . 0.437 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -155.27 146.59 22.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 49.4 mm -60.21 115.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.6 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 33.2 p-80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.352 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 48.0 mttt -54.38 160.85 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.473 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 11.5 mt -133.99 150.46 51.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 843' ' ' LEU . 14.3 t80 -122.11 101.78 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.5 mt -95.86 138.06 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.465 ' CB ' HD21 ' A' ' 843' ' ' LEU . 7.5 t -138.94 160.25 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.7 -10.84 73.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.71 141.6 13.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -53.46 -27.5 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.5 t -71.39 -37.92 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 17.1 t -39.51 141.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 6.1 t -128.11 154.3 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -44.93 -58.64 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.75 -61.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -40.8 -65.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.88 -57.32 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -41.79 -56.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.74 -43.1 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.8 -36.22 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 30.8 m -68.53 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -52.75 -17.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -88.89 -51.3 5.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.7 6.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 66.4 m -93.29 116.39 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.148 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.52 117.76 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -88.72 -40.71 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -160.39 145.57 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.5 tt -135.82 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.427 ' NE ' HG21 ' A' ' 833' ' ' VAL . 0.0 OUTLIER -122.13 149.61 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 65.9 mt -113.37 133.75 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 843' ' ' LEU . 72.1 t -89.92 104.74 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 16.1 p -113.98 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.71 -179.78 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -48.79 -37.2 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -97.03 36.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.73 24.23 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -78.58 143.75 64.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 121.58 8.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.286 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.07 9.87 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 69.68 25.59 75.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 804' ' ' PHE . 33.2 mt -128.4 144.15 51.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.89 141.8 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -107.6 145.01 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 81.3 t -124.66 150.14 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.69 114.59 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -98.07 177.18 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.86 -43.06 9.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -120.52 160.54 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.1 -60.41 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 75.0 m -38.31 -50.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -53.8 -52.97 58.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -50.73 -60.58 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 855' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 858' ' ' VAL . 7.6 t -44.37 -61.85 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -41.26 -52.48 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.473 ' CG2' ' CD2' ' A' ' 803' ' ' LEU . 98.6 t -71.19 -46.16 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 12.0 mtp -64.64 -51.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.48 -60.65 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 862' ' ' ASP . 4.7 mtp -58.4 -44.74 89.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.8 OUTLIER -35.7 110.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.37 50.07 40.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 21.0 ptm -110.28 152.38 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 5.8 m -89.57 134.45 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 49.0 mt -141.4 109.64 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 55.28 40.27 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 71.44 40.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -149.59 112.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.07 106.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.551 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 0.9 OUTLIER -97.55 151.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -116.02 148.23 40.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 858' ' ' VAL . 78.5 t -123.08 119.06 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -120.38 154.81 34.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.76 124.75 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 876' ' ' SER . 32.2 mmtt -67.81 152.73 45.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.404 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 13.7 mt -124.97 153.2 43.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 843' ' ' LEU . 13.8 t80 -129.2 109.15 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.85 135.49 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.458 ' CB ' HD22 ' A' ' 843' ' ' LEU . 91.9 p -134.19 160.14 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.06 76.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 40.8 mt -55.64 142.7 61.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -97.83 -38.88 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 812' ' ' CYS . 16.0 m -56.22 -47.73 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 811' ' ' SER . 4.0 t -35.17 152.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 5.2 t -145.46 156.59 43.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -41.94 -62.03 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.55 -60.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -43.25 -71.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 12.5 tp -44.97 -57.97 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 830' ' ' LEU . 4.9 tm-20 -42.68 -49.73 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.37 -38.18 76.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.94 -32.75 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 40.5 m -71.06 -54.86 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -16.79 4.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.73 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -76.69 -52.14 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.47 -157.38 7.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 90.1 m -83.64 122.66 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.3 113.95 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -82.21 -49.67 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -151.65 157.8 42.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 818' ' ' GLU . 2.8 tt -147.56 125.42 11.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -127.92 151.99 48.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.53 126.47 52.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 41.6 t -77.6 127.98 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 7.4 p -131.88 -177.4 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -101.51 -179.71 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -48.34 -31.54 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -100.49 33.12 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 49.95 29.17 13.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -86.99 143.57 35.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -100.07 -11.53 20.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.01 13.94 41.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 806' ' ' SER . 41.2 mt -123.18 139.36 54.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -148.39 154.73 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.15 138.34 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 847' ' ' GLU . 28.8 t -123.41 142.42 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.449 ' N ' HG12 ' A' ' 846' ' ' VAL . 19.7 tt0 -122.82 124.38 43.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.94 -179.8 4.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -85.27 -42.72 14.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -129.34 -179.19 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -81.57 -51.27 8.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 37.0 t -38.63 -59.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -50.0 -56.75 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -45.84 -59.18 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -43.6 -57.47 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.48 -54.2 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.37 -34.21 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.404 ' CG2' ' CD2' ' A' ' 803' ' ' LEU . 59.2 t -73.08 -46.85 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.3 mmt -61.49 -23.21 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -91.88 -61.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.42 ' CB ' HG21 ' A' ' 873' ' ' VAL . 29.0 mtt -52.79 -35.79 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.451 ' N ' HG21 ' A' ' 873' ' ' VAL . 3.2 t70 -51.56 122.6 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.48 92.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.438 ' HG2' ' CD1' ' A' ' 871' ' ' ILE . 23.5 ptm -109.57 146.81 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.7 m -89.53 129.92 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . 0.428 ' CG1' ' HE3' ' A' ' 864' ' ' MET . 96.4 mt -137.06 111.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp 58.36 36.9 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 72.26 48.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -158.8 107.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.3 mm -67.24 106.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.3 pp -96.75 149.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -111.9 156.84 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.451 HG21 ' N ' ' A' ' 862' ' ' ASP . 11.9 t -126.24 149.13 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.03 142.68 22.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 876' ' ' SER . 47.3 mm -57.11 118.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 875' ' ' ILE . 3.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -62.81 165.32 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.469 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 33.2 mt -134.63 145.87 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.529 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 42.1 t80 -121.85 104.82 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 3.8 mt -101.92 138.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.529 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 1.7 m -137.29 144.66 42.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 91.93 40.66 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 871' ' ' ILE . 48.1 mt -101.87 144.11 27.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.12 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -47.52 -35.47 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 31.7 m -54.28 -50.79 66.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.24 151.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.9 t -138.18 157.53 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.3 OUTLIER -36.13 -64.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 818' ' ' GLU . 79.0 mm-40 -36.16 -68.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 13.7 mt-10 -37.41 -62.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.7 tp -56.91 -31.24 64.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 815' ' ' GLU . 19.4 tt0 -63.97 -57.59 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.4 pt-20 -55.0 -38.91 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 98.7 mt -70.19 -45.13 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 98.3 m -61.76 -55.26 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -53.48 -16.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.38 77.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . 0.504 ' CD2' ' HE3' ' A' ' 861' ' ' MET . 80.4 m-70 -66.16 -52.97 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -142.24 -126.3 2.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 88.7 m -123.59 114.42 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.96 120.03 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -94.87 -38.34 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -157.43 145.22 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.4 tt -139.61 128.3 23.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.0 ptp180 -131.34 153.08 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 38.7 mt -118.0 123.49 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.01 90.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.1 p -93.99 173.6 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.3 t-20 -94.01 173.2 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -38.84 -46.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.9 37.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 47.18 40.02 13.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.53 145.75 30.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.18 14.22 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -110.62 -8.23 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.83 -38.83 2.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 51.0 mt -68.22 138.96 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.17 145.69 36.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -117.46 133.47 55.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 59.1 t -123.23 151.54 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.52 112.49 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -93.68 172.66 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.37 -49.24 8.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -109.46 171.72 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.13 -47.27 11.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 55.7 m -46.39 -51.77 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.59 -58.32 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -44.85 -54.45 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 47.3 t -48.54 -64.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -44.93 -53.47 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.437 ' HB3' ' CD2' ' A' ' 824' ' ' HIS . . . -54.23 -41.0 68.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 59.0 t -57.71 -45.98 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -58.19 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -57.65 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.504 ' HE3' ' CD2' ' A' ' 824' ' ' HIS . 31.1 mtt -63.23 -45.85 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -39.67 96.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 861' ' ' MET . . . 82.42 44.82 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 19.7 ptm -106.66 147.11 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.1 m -83.15 141.85 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 92.2 mt -151.62 107.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 816' ' ' GLU . 24.1 mtmm 59.37 35.44 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.42 44.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -155.95 112.79 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.71 114.72 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.45 149.96 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -114.87 153.15 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 861' ' ' MET . 24.0 t -132.5 131.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -129.8 147.04 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 876' ' ' SER . 36.8 mm -59.56 114.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.2 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -56.69 179.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 848' ' ' TYR . 14.2 mt -146.68 153.59 40.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 804' ' ' PHE . 3.1 t80 -127.7 134.06 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 10.0 mt -132.98 146.81 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.7 p -138.53 155.76 48.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 78.88 55.93 3.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . 0.407 HD21 ' CG2' ' A' ' 871' ' ' ILE . 42.7 mt -110.91 143.14 27.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 810' ' ' PHE . 53.5 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 809' ' ' PRO . 22.6 m-85 -36.96 -35.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 40.8 m -57.27 -50.81 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 38.8 t -41.14 150.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 11.3 t -138.02 159.09 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 815' ' ' GLU . 36.9 ttmt -44.06 -63.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 814' ' ' LYS . 17.4 mt-10 -35.41 -66.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -40.8 -72.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 818' ' ' GLU . 12.0 tp -46.4 -63.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 817' ' ' LEU . 28.4 tt0 -35.67 -54.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.86 -54.29 44.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 37.3 mt -54.99 -33.95 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 87.4 m -66.55 -44.98 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.23 -35.71 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.55 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . 0.414 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 93.5 m-70 -75.27 -56.84 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.9 -155.56 6.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 23.8 m -93.39 118.54 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.84 112.03 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -79.83 -35.73 37.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -168.67 156.45 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 830' ' ' LEU . 3.4 tt -143.92 134.0 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 4.1 ptp180 -131.27 150.1 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 85.8 mt -118.02 144.62 45.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.5 115.25 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 71.3 p -112.48 -176.94 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 838' ' ' GLY . 62.8 t30 -122.02 174.23 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -44.03 -41.0 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.4 ' O ' ' CE ' ' A' ' 839' ' ' LYS . . . -90.0 31.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 52.34 23.2 12.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 837' ' ' ALA . 6.6 mmpt? -85.64 141.32 36.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 114.14 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -71.41 -18.36 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.43 -31.38 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.86 155.39 40.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -150.21 128.32 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.471 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.5 m-85 -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.78 150.42 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -128.73 112.39 14.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . 0.514 ' CE1' HD11 ' A' ' 803' ' ' LEU . 27.8 m-85 -100.25 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -89.27 -45.49 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -117.27 141.48 48.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.89 -44.53 78.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 19.3 m -48.72 -57.39 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -49.97 -48.69 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -55.23 -44.71 75.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 14.7 t -55.29 -61.04 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.87 -57.13 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.414 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -45.8 -39.47 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.449 ' CG2' HD23 ' A' ' 803' ' ' LEU . 89.3 t -69.82 -53.41 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 23.4 mtm -51.67 -23.18 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -93.44 -46.77 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 862' ' ' ASP . 7.7 mtt -69.93 -57.02 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -34.41 114.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.88 45.13 34.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.422 ' CG ' HG13 ' A' ' 871' ' ' ILE . 27.1 ptm -109.12 167.56 10.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.2 m -106.36 131.72 53.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 86.8 mt -143.1 106.57 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp 62.87 40.3 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 67.3 44.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -153.18 109.66 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.8 mm -69.16 110.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.517 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -96.6 146.1 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -110.01 150.08 29.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.407 HG22 ' CB ' ' A' ' 861' ' ' MET . 74.9 t -126.87 148.33 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -155.19 137.52 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.36 121.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . 0.467 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 3.4 p-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . 0.467 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 15.1 mtpt -80.34 151.74 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 858' ' ' VAL . 11.6 mt -124.29 159.1 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 804' ' ' PHE . 2.4 t80 -128.97 114.0 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 806' ' ' SER . 5.2 mt -108.49 150.1 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.429 ' N ' HG21 ' A' ' 805' ' ' ILE . 90.6 p -148.7 156.35 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.15 32.32 32.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 75.8 mt -91.22 143.17 27.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 141.73 46.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.54 -22.05 64.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 4.0 t -64.59 -48.2 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.35 170.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.5 t -148.92 170.3 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -47.96 -58.06 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 816' ' ' GLU . 49.6 mt-10 -40.83 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 38.1 mm-40 -36.46 -58.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 7.3 tp -54.14 -41.77 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 815' ' ' GLU . 1.2 tp10 -60.46 -60.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.2 pt-20 -51.83 -46.4 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.21 -31.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 96.6 m -78.93 -36.7 41.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.18 -26.97 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -67.79 -45.68 74.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -66.26 -49.28 67.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -165.57 -153.98 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 52.4 m -87.49 129.53 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.184 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.93 116.72 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -84.79 -44.56 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -161.4 145.8 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 831' ' ' ARG . 2.6 tt -137.26 129.05 28.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.462 ' N ' HD21 ' A' ' 830' ' ' LEU . 24.0 ptt180 -135.84 152.63 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.24 144.36 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.6 t -87.11 133.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.5 p -133.29 -177.98 4.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -110.74 -176.29 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -56.11 -38.91 71.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.99 25.26 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 56.35 30.37 58.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.07 141.4 29.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 130.19 18.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -97.38 -18.63 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.68 -11.39 56.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.61 151.15 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.38 24.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.433 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.8 m-85 -105.94 125.77 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.0 150.75 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -137.54 106.66 6.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -88.74 -178.98 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.0 -38.82 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -120.63 159.26 25.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 852' ' ' SER . 14.2 pt-20 -71.14 -44.24 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 70.8 m -48.75 -59.04 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -47.42 -58.61 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -44.64 -53.9 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 32.5 t -49.25 -59.68 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -49.72 -52.08 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.9 -32.04 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 86.3 t -72.93 -42.69 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.19 -23.84 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -90.02 -57.38 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 862' ' ' ASP . 11.2 mmm -60.15 -51.92 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 30.4 t70 -37.71 105.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.532 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 16.8 ptm -108.61 152.06 25.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -94.63 133.15 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 83.4 mt -140.02 107.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 57.82 41.59 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 69.23 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -150.38 105.72 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.66 112.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.527 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -102.12 142.96 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -103.73 155.99 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 862' ' ' ASP . 5.2 t -139.67 144.36 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.54 151.75 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.1 130.67 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . 0.533 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 22.0 p-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . 0.533 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 33.4 mtpt -69.35 159.12 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 9.6 mt -133.85 165.52 24.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.403 ' CZ ' HD23 ' A' ' 843' ' ' LEU . 3.7 t80 -137.76 136.61 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.06 138.55 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 87.8 p -135.84 161.0 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 77.46 36.89 32.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 40.9 mt -97.36 143.91 27.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.953 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.36 17.38 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -44.0 -35.29 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 89.7 p -53.44 -51.05 63.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 1.9 t -39.82 156.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 814' ' ' LYS . 14.7 t -149.09 158.86 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.0 OUTLIER -35.68 -65.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 816' ' ' GLU . 3.7 mp0 -36.52 -71.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 815' ' ' GLU . 38.3 mm-40 -36.04 -67.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 10.4 tp -47.22 -61.18 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.88 -54.04 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.99 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.4 -29.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 92.9 m -81.02 -60.43 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 822' ' ' LYS . 0.0 OUTLIER -44.43 -28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.93 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.57 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' THR . . . . . 0.516 ' O ' ' CD2' ' A' ' 848' ' ' TYR . 99.5 m -96.23 131.87 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 89.8 t -100.1 104.26 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -70.07 -42.22 73.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -162.19 147.26 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.4 tt -136.24 127.87 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 8.7 ptp85 -128.76 145.47 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . 0.431 HD13 ' CA ' ' A' ' 814' ' ' LYS . 43.2 mt -119.64 123.28 43.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.37 111.37 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 32.2 p -105.87 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -109.57 -175.02 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -58.63 -35.19 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 11.26 21.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 73.27 32.13 60.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -101.51 142.11 23.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -76.85 -16.33 59.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 118.77 -42.51 1.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . 0.403 HD23 ' CZ ' ' A' ' 804' ' ' PHE . 62.6 mt -65.91 136.76 56.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.32 128.51 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . 0.469 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.8 m-85 -102.65 137.73 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 847' ' ' GLU . 28.2 t -126.85 145.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . 0.461 ' N ' HG11 ' A' ' 846' ' ' VAL . 29.1 tt0 -131.62 111.21 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' THR . 16.7 m-85 -92.25 -176.57 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -95.02 -43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.478 ' OD1' ' NE2' ' A' ' 853' ' ' GLN . 0.4 OUTLIER -117.83 149.99 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.21 -52.94 62.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 78.6 p -44.78 -57.43 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 850' ' ' ASN . 30.2 mt-30 -48.17 -48.32 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -61.49 -51.91 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 46.3 t -45.94 -54.32 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.59 -52.87 62.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.75 24.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.437 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 85.8 t -73.23 -49.23 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 41.2 mtm -58.52 -26.94 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -89.76 -60.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 861' ' ' MET . . . . . . . . . . . . . 36.3 mmm -55.23 -45.09 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 14.8 t70 -43.47 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 67.58 49.1 52.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.429 ' HE3' ' CG1' ' A' ' 866' ' ' ILE . 23.1 ptm -108.76 166.59 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 4.0 m -99.2 135.7 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . 0.429 ' CG1' ' HE3' ' A' ' 864' ' ' MET . 96.2 mt -149.37 111.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 60.34 38.55 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.0 46.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -157.92 116.5 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 8.8 mm -71.14 115.05 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -103.69 145.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -106.03 145.76 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.84 143.18 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -147.6 148.58 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 47.7 mm -61.43 126.82 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -79.93 166.59 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' A' ' 858' ' ' VAL . 9.5 mt -137.31 164.21 29.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . 0.518 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 74.7 t80 -136.2 128.05 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 7.9 mt -124.96 134.75 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' SER . . . . . 0.518 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 5.0 m -135.37 151.29 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.27 33.17 18.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.98 143.19 26.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.07 16.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.24 -45.27 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 66.6 m -39.06 -51.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.1 170.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 8.9 t -158.43 176.49 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -50.2 -44.05 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.95 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -50.7 -56.82 10.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.34 -65.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 818' ' ' GLU . 0.0 OUTLIER -38.29 -44.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -57.75 -59.26 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . 0.435 HG21 ' CE ' ' A' ' 861' ' ' MET . 57.6 mt -47.76 -39.37 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.52 -49.61 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -50.25 -35.55 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.21 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 81.7 m-70 -70.08 -58.21 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.41 -147.35 4.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 99.8 m -98.82 128.37 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 51.2 t -101.85 111.94 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -73.89 -38.59 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -169.82 144.74 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 5.5 tt -118.65 139.21 51.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -122.88 138.02 54.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 23.7 mt -120.31 122.65 41.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.16 114.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 80.6 p -121.16 172.86 7.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 838' ' ' GLY . 5.9 p-10 -94.61 175.22 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -40.07 -42.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.02 34.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 41.64 45.57 4.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -96.88 142.52 24.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.22 5.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -103.85 -1.95 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.25 2.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.87 132.55 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -155.23 145.9 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -108.76 155.84 20.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.79 143.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -125.63 105.94 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . 0.454 ' CE1' HD11 ' A' ' 803' ' ' LEU . 19.9 m-85 -89.31 178.67 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -73.86 -49.62 24.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -125.91 -175.63 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -78.98 -44.0 23.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 17.1 t -43.74 -64.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -44.28 -55.56 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -44.29 -53.93 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 7.7 t -51.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -47.67 -57.04 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . 0.456 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -52.44 -33.01 42.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . 0.457 ' CG2' HD22 ' A' ' 803' ' ' LEU . 69.6 t -72.3 -45.37 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 38.2 mtp -60.6 -29.29 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -88.25 -55.62 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.435 ' CE ' HG21 ' A' ' 820' ' ' ILE . 6.2 mmt -58.73 -46.33 87.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 7.4 t70 -43.21 112.16 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 65.01 49.85 60.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.0 ptm -110.59 156.01 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 130.27 42.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 97.1 mt -136.68 111.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 30.9 mttm 53.07 40.76 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 71.97 46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -156.67 114.97 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mm -76.65 105.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -95.4 144.85 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -106.37 148.33 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.44 148.5 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -160.24 155.25 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.2 mm -56.64 123.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -53.96 162.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 8.6 mt -137.67 143.13 41.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -113.89 117.42 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.1 mt -113.72 148.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 64.5 p -149.48 156.73 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 86.4 27.56 29.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 33.6 mt -89.49 143.89 31.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.88 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.254 . . . . 0.0 112.352 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -47.14 -41.44 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.9 m -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 51.1 t -53.19 149.41 7.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.87 170.38 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' LYS . . . . . 0.421 ' N ' ' OG1' ' A' ' 813' ' ' THR . 0.7 OUTLIER -53.43 -57.14 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -43.64 -58.99 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.82 -44.69 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.01 -35.21 74.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.73 -60.41 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -40.55 92.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' ILE . . . . . 0.456 HG22 ' CE ' ' A' ' 861' ' ' MET . 89.9 mt -66.24 -25.8 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 75.8 m -87.88 -24.68 23.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -63.26 -41.44 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.2 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -61.99 -55.23 31.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.14 8.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 94.7 m -85.31 130.61 34.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 111.145 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 76.5 t -97.3 105.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -75.73 -39.29 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -163.21 158.98 22.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.96 125.4 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -128.77 147.95 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 11.9 mt -115.52 125.21 52.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.56 82.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.4 p -90.57 179.62 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 838' ' ' GLY . 4.0 p-10 -96.36 175.61 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -40.36 -42.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 34.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 42.52 41.46 4.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -94.0 144.11 27.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.81 4.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -100.05 -6.13 26.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.53 -34.32 5.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.11 148.18 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -155.43 143.58 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -114.59 137.45 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.27 149.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -133.54 100.21 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -82.49 -176.85 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -91.26 -43.81 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -122.75 170.66 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.92 -40.83 60.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 18.3 m -50.02 -56.94 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.22 -52.64 51.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -48.2 -47.59 35.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.0 t -57.2 -55.6 32.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.34 35.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.96 -47.41 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 29.9 mmm -60.08 -17.19 37.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -101.5 -43.43 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 861' ' ' MET . . . . . 0.456 ' CE ' HG22 ' A' ' 820' ' ' ILE . 6.5 mtt -71.72 -50.67 28.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.0 p-10 -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.02 47.4 24.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' MET . . . . . 0.446 ' CG ' HG13 ' A' ' 871' ' ' ILE . 24.0 ptm -103.44 155.57 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.5 m -97.39 129.38 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 73.7 mt -138.37 105.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.23 48.62 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 63.27 48.33 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.58 113.09 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.4 mm -76.84 115.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.529 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -103.83 144.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -112.2 140.98 46.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.1 t -119.43 165.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -160.1 153.72 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 876' ' ' SER . 49.5 mm -74.04 115.72 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 98.2 p -66.48 173.26 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 9.0 m -134.74 103.12 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -86.48 108.76 3.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 2.4 t -66.56 -47.36 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 3.1 m -65.0 109.17 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.01 147.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 792' ' ' PHE . 91.3 t -134.72 141.83 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.447 ' N ' HG12 ' A' ' 791' ' ' VAL . 11.2 m-85 -134.07 173.25 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -101.82 114.54 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -123.1 -46.78 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 8.4 t -127.64 142.46 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 4.7 t -37.74 155.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.8 m -52.22 131.26 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.554 ' CD1' ' C ' ' A' ' 798' ' ' LEU . 1.0 OUTLIER -98.07 149.22 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -98.75 142.51 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -43.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -48.56 -44.36 36.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.45 149.02 10.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 7.1 mt -127.45 150.17 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 806' ' ' SER . 56.3 t80 -123.77 128.33 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.4 mt -125.3 122.54 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 89.4 p -119.08 158.66 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 78.56 50.4 6.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 30.6 mt -110.91 144.04 29.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -43.66 -37.61 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 812' ' ' CYS . 21.2 t -54.08 -46.67 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 811' ' ' SER . 45.6 t -37.71 142.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 12.9 t -125.79 155.19 41.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 815' ' ' GLU . 11.9 tttp -46.76 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 814' ' ' LYS . 34.8 mt-10 -35.53 -57.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 27.6 mt-10 -43.56 -62.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.4 tp -57.08 -36.27 70.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.38 -57.85 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.3 pt-20 -56.19 -38.32 70.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 64.4 mt -71.93 -33.26 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 65.2 m -69.47 -51.27 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -61.52 -10.17 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -71.7 -24.21 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -95.22 -48.67 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.09 -154.1 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 96.4 m -84.86 124.57 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.59 101.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 828' ' ' LYS . 2.8 mmmp? -66.46 -47.26 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -161.96 153.16 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.6 tt -139.58 131.53 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -135.27 143.51 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.435 HD13 ' CA ' ' A' ' 814' ' ' LYS . 12.7 mt -115.14 119.59 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.75 106.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 25.8 p -104.05 170.14 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 839' ' ' LYS . 51.4 t30 -96.75 177.79 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -58.21 -29.55 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.4 -3.3 57.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 91.15 17.71 49.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 835' ' ' ASN . 5.3 mmmm -91.55 143.68 28.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -77.49 -3.98 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.18 -27.28 20.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 23.6 mt -81.82 143.09 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.0 23.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -108.06 147.42 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.94 151.08 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -131.25 123.04 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.1 172.53 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -88.11 -42.03 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -111.57 -179.09 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -95.4 -44.66 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 27.3 t -56.57 -41.39 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.8 -54.1 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -54.96 -45.83 74.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.1 t -51.64 -53.51 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.09 -51.76 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -56.68 -33.69 66.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 96.1 t -72.12 -38.49 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 2.2 mtp -67.8 -29.03 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -89.44 -57.95 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.438 ' CB ' HG23 ' A' ' 873' ' ' VAL . 27.9 mtt -55.46 -35.86 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 6.8 t70 -52.24 112.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.68 48.84 47.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.3 ptm -110.58 149.39 30.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.0 m -90.51 129.03 36.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.05 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 57.25 34.91 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 74.5 48.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -158.16 114.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . 0.417 ' N ' HD12 ' A' ' 870' ' ' ILE . 1.9 mp -70.95 111.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.53 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.83 145.2 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 35.7 tttp -111.59 149.34 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.446 ' N ' ' HG2' ' A' ' 872' ' ' LYS . 25.6 t -115.7 157.91 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -159.9 129.95 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 877' ' ' ASN . 30.8 mm -61.82 115.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 2.6 m -58.85 83.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 875' ' ' ILE . 48.1 t30 -100.58 -51.89 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 47.4 m -69.82 129.59 39.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -149.74 -90.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 102.11 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 40.6 t -65.06 110.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 -60.67 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 37.2 p -99.65 83.74 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 58.7 m -138.98 119.86 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -172.91 124.52 1.07 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.4 t -115.43 128.26 55.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 11.7 t -49.52 126.95 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 119.09 88.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.39 119.7 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.71 122.5 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -132.46 87.79 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -117.34 137.55 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 55.3 p -84.48 101.79 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 24.3 p -90.19 165.28 14.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.7 p -134.67 44.39 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 6.9 mt -130.63 166.0 21.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . 0.501 ' HB3' ' CE1' ' A' ' 801' ' ' HIS . 9.5 mt-10 -100.0 52.17 0.91 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 801' ' ' HIS . 21.9 tttt -42.89 -54.12 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 799' ' ' GLU . 52.0 p-80 -36.39 -40.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 37.9 mttp -61.81 150.61 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 854' ' ' ALA . 6.7 mt -122.27 149.1 44.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -123.91 118.51 27.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.48 151.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 25.1 p -148.38 154.08 39.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.04 16.1 65.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.406 HD21 ' CG2' ' A' ' 871' ' ' ILE . 36.0 mt -74.65 142.81 77.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.17 18.88 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -46.34 -44.34 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 7.7 t -43.82 -51.8 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.6 154.6 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -141.61 -178.81 5.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -54.89 -47.37 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.8 -60.27 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.66 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 818' ' ' GLU . 13.7 tp -44.99 -64.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 817' ' ' LEU . 40.3 tt0 -35.64 -57.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.71 -59.35 3.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 98.2 mt -48.04 -36.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 99.4 m -71.11 -36.6 72.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -61.19 -21.1 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.95 -41.94 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -70.18 -39.44 75.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -173.23 -150.99 7.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 40.8 m -93.95 126.29 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.52 106.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.44 -48.39 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.89 156.93 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.6 tt -145.35 129.04 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -132.75 140.31 48.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 15.9 mt -115.84 137.23 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.02 94.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 1.3 p -95.07 176.68 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.09 173.09 8.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -56.17 -26.32 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.96 28.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 105.82 5.0 39.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -77.07 143.7 70.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 136.61 33.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -105.62 -14.0 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 106.32 -24.11 26.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.43 127.01 33.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -139.04 137.44 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.42 ' CE2' ' OG ' ' A' ' 876' ' ' SER . 11.8 m-85 -108.53 142.66 38.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.11 151.14 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.5 109.69 9.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.52 -179.74 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' A' ' 849' ' ' GLU . 6.6 tm-20 -89.26 -48.17 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -108.82 164.85 12.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.87 -45.39 24.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 40.5 t -52.37 -53.26 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -50.11 -50.36 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . 0.43 ' HB3' ' CD2' ' A' ' 803' ' ' LEU . . . -56.54 -50.11 72.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.9 t -49.66 -58.28 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.47 -55.03 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -52.66 -30.78 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 91.3 t -74.41 -40.05 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.72 -31.25 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -84.12 -55.99 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.46 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.3 mmm -57.45 -45.19 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -41.58 109.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 70.44 46.96 45.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 6.8 ptm -106.99 154.93 20.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.1 m -92.0 134.79 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 71.2 mt -148.71 108.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt 63.1 33.46 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 72.3 46.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -158.77 109.36 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.34 108.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.529 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 0.9 OUTLIER -93.22 139.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -104.0 142.03 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 861' ' ' MET . 58.2 t -119.49 156.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -158.09 150.6 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 42.1 mm -70.72 116.98 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 845' ' ' TYR . 2.2 m -54.47 98.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -161.52 126.82 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 23.0 t -122.1 95.97 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -134.96 -158.11 8.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 119.8 6.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -159.73 121.36 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 46.2 p -119.43 -51.05 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 97.0 p -51.17 121.52 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.4 t -72.01 152.13 42.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 128.6 41.21 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 3.3 t -90.84 122.32 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 31.8 t -85.14 116.2 23.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -172.53 88.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.7 40.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -52.09 -49.1 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -128.83 153.39 47.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -117.28 93.52 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 51.5 m -90.97 -65.48 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 9.9 t -131.51 146.85 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.1 m -76.77 133.7 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.44 154.61 38.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.58 69.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.14 51.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -110.99 -45.57 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.37 149.52 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.431 HD23 ' CG2' ' A' ' 858' ' ' VAL . 6.0 mt -125.94 155.9 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -125.24 125.5 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 4.8 mt -122.41 132.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 4.5 t -127.27 167.17 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 69.84 40.47 75.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 94.0 mt -97.14 142.3 24.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -37.56 -35.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.6 m -53.39 -52.25 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.26 153.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 3.3 t -139.21 164.97 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.452 ' N ' HD12 ' A' ' 832' ' ' LEU . 6.3 tmtt? -46.57 -55.48 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -46.35 -57.58 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 31.7 mt-10 -47.74 -59.36 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 13.6 tp -54.58 -38.2 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.13 -60.23 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.1 pt-20 -53.1 -39.25 63.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 80.3 mt -70.84 -36.66 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 67.6 m -68.22 -55.23 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -57.53 -12.44 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -68.2 -25.58 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.068 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -94.04 -59.3 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -139.07 -144.27 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 30.4 m -97.98 123.83 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.16 105.36 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.07 -50.05 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -148.88 152.18 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . 0.4 ' C ' HD21 ' A' ' 830' ' ' LEU . 2.6 tt -144.43 132.71 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.4 ' N ' HD21 ' A' ' 830' ' ' LEU . 36.5 ttp180 -137.73 155.09 49.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 814' ' ' LYS . 14.4 mt -121.03 132.72 55.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 42.6 t -72.74 106.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 76.3 p -112.72 -177.47 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -113.21 179.19 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -47.34 -24.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.28 -45.62 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 129.91 -6.77 6.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -65.38 143.3 98.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.16 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -80.8 -10.5 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.63 -21.26 26.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 32.8 mt -91.96 136.23 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.68 143.92 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -110.87 136.76 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.81 140.83 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -125.31 118.09 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -98.43 179.78 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -92.15 -45.69 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -120.76 162.61 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.69 -54.53 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.3 t -39.87 -60.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -48.8 -61.52 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -45.04 -59.62 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 3.4 t -39.79 -55.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -55.98 -51.99 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.73 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.431 ' CG2' HD23 ' A' ' 803' ' ' LEU . 74.8 t -73.22 -54.43 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.3 mtt -60.12 -20.83 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -92.35 -40.16 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 862' ' ' ASP . 3.8 mtt -78.3 -56.78 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.433 ' N ' HG21 ' A' ' 873' ' ' VAL . 0.4 OUTLIER -36.6 117.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.7 29.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.443 ' CG ' HG13 ' A' ' 871' ' ' ILE . 23.1 ptm -108.09 153.26 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.5 m -95.55 133.79 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 91.8 mt -146.96 114.44 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt 57.67 36.7 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.6 47.81 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -156.78 110.93 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.02 113.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.534 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -100.74 143.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . 0.418 ' C ' HG23 ' A' ' 873' ' ' VAL . 42.5 tttm -105.91 154.22 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 862' ' ' ASP . 42.2 t -137.82 146.25 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.43 155.84 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 876' ' ' SER . 28.6 mm -61.74 117.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 875' ' ' ILE . 8.3 p -35.01 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.62 38.96 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 10.1 t -39.47 120.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -113.49 146.44 18.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 164.28 35.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.246 . . . . 0.0 112.291 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 1.9 m -104.93 -56.67 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 1.1 t 52.67 41.26 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 18.8 m -131.57 128.0 38.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 31.1 t -49.79 110.47 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 110.95 -127.44 8.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 24.8 m -137.5 141.75 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 5.3 t -50.51 125.44 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 89.86 -66.11 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.98 112.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -85.8 -50.16 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -83.39 141.93 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.92 -48.72 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 65.7 m -136.98 137.22 39.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 4.3 t -75.35 -0.56 20.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 17.0 m -130.14 131.85 45.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 798' ' ' LEU . 0.0 OUTLIER -128.02 15.27 6.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -75.49 72.75 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.54 26.82 9.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -78.06 -45.5 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -61.86 161.93 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.442 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 8.6 mt -136.68 160.97 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -135.65 132.17 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 8.1 mt -125.77 149.77 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 78.1 p -143.84 150.5 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.96 41.84 9.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 39.5 mt -96.12 143.67 26.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 119.63 6.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -42.63 -34.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 46.4 m -54.21 -51.48 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 32.1 t -44.39 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.0 t -140.8 154.69 46.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -41.77 -57.52 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.8 -67.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.59 -66.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 818' ' ' GLU . 14.1 tp -46.1 -60.2 2.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 817' ' ' LEU . 29.0 tt0 -37.96 -60.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -48.33 -53.32 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.14 -38.67 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 72.4 m -69.99 -35.05 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.06 -23.16 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.92 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . 0.413 ' CD2' ' HB1' ' A' ' 857' ' ' ALA . 83.3 m-70 -66.48 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.37 -144.8 4.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 93.5 m -99.87 122.69 43.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 111.134 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 74.6 t -92.2 110.13 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -73.48 -50.65 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -150.18 160.62 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 3.5 tt -146.18 131.08 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -131.05 150.72 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 17.7 mt -119.45 130.57 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 82.6 t -71.15 117.05 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 35.9 p -120.96 -179.79 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.07 178.79 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -48.46 -21.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.98 -45.1 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.24 6.24 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -59.74 143.28 87.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -77.18 -9.24 58.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.33 -30.15 8.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 26.1 mt -80.71 148.3 30.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -154.71 151.98 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -117.55 148.17 42.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.05 144.73 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -127.09 110.97 13.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.13 174.96 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.91 -40.25 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -116.41 170.91 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -80.58 -53.18 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 16.8 t -46.59 -43.3 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -50.33 -56.32 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -50.09 -61.5 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -42.42 -54.0 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 824' ' ' HIS . . . -57.38 -33.82 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 87.8 t -67.62 -40.68 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.22 -33.44 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' A' ' 860' ' ' LYS . 0.6 OUTLIER -78.69 -58.34 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 862' ' ' ASP . 27.4 mtt -59.75 -44.11 93.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -34.95 102.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 69.47 47.76 48.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 20.8 ptm -102.97 162.82 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 6.3 m -99.38 132.87 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 66.3 mt -144.39 108.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 36.89 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 71.52 47.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -156.42 109.65 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . 0.417 HD11 ' N ' ' A' ' 870' ' ' ILE . 1.8 mp -70.52 102.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.524 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 0.9 OUTLIER -91.06 143.89 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -105.92 143.9 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.415 HG21 ' C ' ' A' ' 861' ' ' MET . 25.6 t -124.86 144.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -149.11 155.74 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 19.5 mm -66.34 113.99 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 11.2 t -35.23 142.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.15 162.84 24.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 8.1 t -95.42 179.12 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -146.11 77.65 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -39.69 6.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 m -127.92 157.93 39.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.9 t -77.8 142.47 38.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 5.0 t -133.04 126.39 31.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 63.2 p -43.58 151.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 139.24 115.34 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 8.2 t -101.53 87.55 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 71.3 m -138.82 113.19 8.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.73 7.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 96.2 t -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -126.48 148.15 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -83.85 151.75 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -46.75 -59.74 2.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 66.3 p -110.79 124.56 52.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 69.9 m -108.41 98.13 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 41.2 p -115.0 66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.0 99.3 11.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 65.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.529 ' CD2' ' HG3' ' A' ' 802' ' ' LYS . 16.3 p-80 -110.46 -52.89 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . 0.529 ' HG3' ' CD2' ' A' ' 801' ' ' HIS . 64.9 mttt -56.87 156.05 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 7.9 mt -123.76 155.74 37.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.426 ' CE1' HD22 ' A' ' 843' ' ' LEU . 21.6 t80 -128.39 110.06 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 3.7 mt -106.39 136.72 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 93.2 p -131.35 150.96 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 83.68 47.83 5.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 34.2 mt -99.67 143.41 26.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.82 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -43.8 -28.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 29.7 m -63.95 -47.19 81.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 42.7 t -43.17 149.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 5.0 t -138.86 156.96 46.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 832' ' ' LEU . 30.6 ttmt -42.4 -59.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -41.19 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -38.11 -63.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.2 tp -46.05 -53.35 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -47.74 -58.01 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -54.15 -37.41 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 60.6 mt -71.45 -32.57 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 91.8 m -75.14 -60.21 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -20.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.14 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -86.78 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -141.91 -150.52 5.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 99.6 m -100.69 117.58 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.36 101.26 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -64.61 -44.54 90.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -154.63 145.01 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.7 tt -135.26 127.39 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.436 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 6.8 ptp85 -130.67 146.84 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 814' ' ' LYS . 39.9 mt -114.63 125.72 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.75 139.5 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -148.16 -175.87 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.422 ' ND2' ' HD3' ' A' ' 841' ' ' LYS . 27.8 m-20 -114.02 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -49.0 -36.38 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.97 25.01 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.47 32.61 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -89.42 140.84 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.83 3.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.422 ' HD3' ' ND2' ' A' ' 835' ' ' ASN . 5.3 mtmp? -88.67 13.5 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.62 7.95 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . 0.426 HD22 ' CE1' ' A' ' 804' ' ' PHE . 36.2 mt -112.03 139.47 47.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.2 152.21 44.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.436 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.9 m-85 -120.81 138.65 53.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.72 150.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -134.51 113.86 12.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -98.31 178.7 4.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -48.57 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -120.73 -179.61 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.02 -52.83 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 3.1 t -38.22 -58.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.55 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -40.0 -44.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 45.0 t -57.57 -58.09 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.24 -54.66 12.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.13 54.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 72.5 t -70.72 -42.52 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.98 -24.0 67.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -93.47 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.444 ' HB3' ' CG2' ' A' ' 873' ' ' VAL . 17.5 mtt -56.92 -52.44 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 5.7 t0 -35.7 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.03 47.19 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 25.6 ptm -110.86 148.8 31.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.3 m -91.76 126.79 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 90.5 mt -134.81 107.65 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 43.8 mttm 59.68 48.13 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 63.08 38.59 10.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -150.68 111.69 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.5 mt -74.68 119.09 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.515 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -107.7 146.97 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -108.13 151.72 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 862' ' ' ASP . 15.4 t -132.56 140.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.28 144.93 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 19.8 mm -56.01 119.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 8.7 p -39.19 131.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -98.57 107.13 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 45.6 t -76.41 -53.76 7.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 146.63 70.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.22 7.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.635 2.224 . . . . 0.0 112.365 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 47.8 t -86.63 124.21 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 29.5 t -64.52 -56.72 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 65.7 m -56.87 111.14 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 29.0 p -144.25 158.9 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 788' ' ' SER . . . 135.75 156.89 7.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 787' ' ' GLY . 62.2 p -37.49 140.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 3.5 t -134.65 104.75 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 130.22 162.42 10.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 90.7 t -115.01 86.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -117.07 141.05 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -118.59 74.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -69.05 153.38 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 70.4 m -119.2 87.11 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 797' ' ' SER . 50.0 m -130.16 151.3 50.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 796' ' ' THR . 14.9 m -78.91 87.62 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 34.0 mt -133.65 156.34 48.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -99.05 50.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -53.49 -36.1 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -51.96 -37.15 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -72.07 154.66 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 858' ' ' VAL . 14.1 mt -126.53 146.7 50.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -120.2 111.8 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 3.7 mt -109.73 144.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.468 ' CB ' HD21 ' A' ' 843' ' ' LEU . 95.7 p -146.68 154.3 41.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.14 54.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 46.0 mt -80.26 142.76 55.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.85 52.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.8 -38.73 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 22.9 m -53.47 -50.24 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.7 152.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.7 t -157.46 173.16 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -41.31 -58.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -39.02 -62.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.15 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.6 tp -37.17 -62.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -43.77 -56.48 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -56.33 -30.54 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 55.2 mt -83.02 -25.36 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.65 -55.12 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -14.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.99 88.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 857' ' ' ALA . 87.0 m-70 -83.46 -49.08 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -145.72 -136.95 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.4 m -111.48 133.3 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 99.7 t -98.04 105.0 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . 0.418 ' HD2' ' CD ' ' A' ' 849' ' ' GLU . 6.0 mmpt? -74.11 -44.43 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -151.08 148.53 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.2 tt -142.09 132.12 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -136.0 148.48 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.71 125.71 51.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.25 90.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 33.1 p -103.99 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -92.83 -176.93 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -47.8 -39.94 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.09 33.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 43.5 35.34 2.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -87.47 143.58 34.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -93.53 -7.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.28 -19.25 49.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 806' ' ' SER . 84.0 mt -90.25 149.18 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.4 151.3 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -121.37 137.23 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 20.7 t -120.85 150.84 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -134.0 102.67 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -86.05 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . 0.418 ' CD ' ' HD2' ' A' ' 828' ' ' LYS . 7.0 tp10 -91.72 -39.47 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -124.71 161.54 26.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.02 -45.45 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 t -42.83 -60.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -49.14 -62.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -39.95 -47.91 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.6 t -59.1 -60.14 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -50.65 -55.7 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.418 ' HA ' ' CD2' ' A' ' 824' ' ' HIS . . . -47.86 -40.18 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.457 ' CG2' HD23 ' A' ' 803' ' ' LEU . 42.1 t -72.23 -52.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -55.76 -16.83 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -103.52 -34.6 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 862' ' ' ASP . 4.9 mtt -78.73 -54.44 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 861' ' ' MET . 9.0 p-10 -35.05 106.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.39 43.34 8.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 22.1 ptm -109.22 153.29 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -90.93 134.24 34.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 76.7 mt -146.38 105.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 66.45 36.16 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 70.72 42.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -155.09 114.11 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.0 mm -70.92 110.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.542 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 0.9 OUTLIER -98.29 144.54 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -104.86 154.09 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 25.3 t -134.51 149.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.75 158.73 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.0 mm -68.38 115.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 875' ' ' ILE . 3.5 p -35.55 143.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -161.14 154.69 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 32.9 m -149.17 147.91 29.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -176.24 81.5 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 137.47 35.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 51.4 p -120.3 114.05 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 62.1 m -94.11 -48.66 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 46.6 t -120.56 93.52 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 6.3 m -95.47 121.24 36.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 172.44 92.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 52.1 p -170.63 123.23 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 4.9 t -97.49 136.78 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 50.41 92.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 792' ' ' PHE . 7.3 p -76.32 142.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.429 ' N ' HG21 ' A' ' 791' ' ' VAL . 48.2 m-85 -101.06 129.5 46.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.4 151.02 20.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -123.68 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 95.8 p -97.46 144.55 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 86.2 m -94.87 133.87 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 12.5 t -50.39 -52.22 39.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.77 147.59 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -94.58 42.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -75.47 -41.86 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -39.11 -42.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -61.85 174.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.484 HD12 ' CE1' ' A' ' 848' ' ' TYR . 10.4 mt -140.83 148.31 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.439 ' CE1' ' CD2' ' A' ' 843' ' ' LEU . 12.4 t80 -122.53 108.17 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.8 mt -102.99 141.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.42 ' CB ' HD23 ' A' ' 843' ' ' LEU . 33.1 t -137.54 164.3 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 72.78 44.41 38.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.46 ' CD2' ' CG2' ' A' ' 871' ' ' ILE . 23.6 mt -106.91 142.3 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.49 14.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -40.33 -33.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 20.5 m -52.82 -54.17 38.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.1 t -44.89 155.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 1.7 t -139.13 171.51 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -56.24 -54.73 41.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -43.1 -66.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.74 -58.83 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 13.1 tp -49.41 -62.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -40.96 -59.98 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -46.85 -38.97 11.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 50.6 mt -74.27 -28.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.64 -55.86 5.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -52.08 -30.67 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.14 -33.12 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.02 -52.56 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.46 -148.39 4.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 81.4 m -97.69 122.55 40.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.2 t -88.42 101.56 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 828' ' ' LYS . 0.0 OUTLIER -68.96 -43.11 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -163.74 148.34 10.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.2 tt -133.78 132.41 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.435 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 1.4 ptm85 -134.81 148.95 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 78.3 mt -108.95 150.8 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 12.9 t -105.78 84.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -100.89 -178.75 3.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 837' ' ' ALA . 3.5 p-10 -96.71 -176.21 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -49.24 -38.28 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 835' ' ' ASN . . . -93.96 34.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 44.0 42.6 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.05 143.78 26.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.06 17.38 23.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 68.22 21.69 74.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . 0.439 ' CD2' ' CE1' ' A' ' 804' ' ' PHE . 25.3 mt -127.37 137.23 52.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -142.42 156.57 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.435 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 8.3 m-85 -128.2 130.97 48.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.7 148.24 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -128.31 119.98 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . 0.484 ' CE1' HD12 ' A' ' 803' ' ' LEU . 15.6 m-85 -106.15 176.59 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.97 -50.48 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -108.55 175.11 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.02 -37.58 17.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 33.5 t -56.91 -49.13 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.96 -55.14 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -51.96 -52.16 52.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.7 t -48.51 -60.26 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -45.74 -55.41 6.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.97 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 55.6 t -74.19 -37.96 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.09 -31.23 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -85.32 -60.62 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.434 ' CB ' HG22 ' A' ' 873' ' ' VAL . 36.3 mtt -53.21 -43.25 67.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 8.5 t0 -46.53 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.49 40.83 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 22.7 ptm -103.41 144.13 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.1 m -84.36 126.89 33.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 51.6 mt -135.07 119.02 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 49.72 45.33 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 63.71 49.28 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -162.16 112.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.18 115.23 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.515 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -104.66 139.72 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -105.23 156.09 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.434 HG22 ' CB ' ' A' ' 861' ' ' MET . 30.6 t -129.98 138.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -138.81 135.29 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 30.7 mm -56.8 119.43 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.2 m -62.67 106.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -109.62 40.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 59.6 p 41.53 40.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -116.87 153.98 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 176.82 6.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 60.6 p -78.05 146.61 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 m -95.02 130.16 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 88.1 p -101.66 42.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 47.0 t -50.09 142.86 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -76.5 -123.87 0.2 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 50.8 m -131.13 166.88 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 36.5 t -108.27 -52.29 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -135.66 -79.33 0.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.31 140.77 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -64.82 -46.62 81.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -55.44 133.0 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.84 157.12 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 21.7 m -121.68 108.81 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 22.9 m -106.52 100.77 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 t -63.04 -36.15 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 149.6 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -86.22 96.22 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -44.53 5.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 46.4 p-80 -38.81 -53.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 54.8 mttt -46.25 159.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 6.3 mt -138.29 157.67 45.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 806' ' ' SER . 1.2 t80 -132.54 135.87 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 6.8 mt -130.16 132.61 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.18 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 98.6 p -128.5 151.63 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.02 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 27.1 mt -97.25 143.38 26.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.97 11.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -40.53 -34.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -52.82 59.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.22 159.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.0 t -147.81 165.96 28.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.13 -53.48 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -45.44 -64.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -44.63 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 12.5 tp -43.53 -62.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -43.68 -53.11 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -52.05 -39.49 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 40.3 mt -75.87 -29.43 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 62.1 m -70.37 -52.48 22.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -57.85 -13.49 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.15 -31.24 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -84.27 -41.27 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -159.45 -133.8 1.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 56.0 m -111.72 114.34 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 111.181 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 59.6 t -79.31 110.44 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . 0.409 ' CB ' ' OE1' ' A' ' 847' ' ' GLU . 28.1 mmmt -80.53 -45.57 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -158.39 142.32 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.8 tt -136.53 137.21 40.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.456 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 10.7 ptp180 -138.35 147.63 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 93.4 mt -111.55 143.93 41.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.1 t -90.49 128.09 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 34.7 p -120.28 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -117.92 176.97 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -50.51 -18.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.12 -46.85 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 133.83 -36.43 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -51.13 158.29 1.29 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.15 5.51 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -72.92 -11.37 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.19 -38.88 3.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 28.3 mt -69.96 136.43 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -135.52 138.23 42.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.456 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -110.45 141.4 43.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 67.2 t -129.24 153.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.409 ' OE1' ' CB ' ' A' ' 828' ' ' LYS . 3.4 tm-20 -138.54 108.49 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -90.33 -175.98 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.63 -47.87 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 43.0 p30 -122.56 -177.51 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.85 -44.13 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 8.1 t -47.02 -63.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.2 -52.59 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -48.92 -61.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -44.32 -61.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -44.63 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.64 78.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.465 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 55.2 t -65.38 -48.25 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 21.0 mmm -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -71.42 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.41 ' CB ' HG23 ' A' ' 873' ' ' VAL . 16.2 mtp -54.27 -34.22 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -49.79 114.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.56 61.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 19.3 ptm -107.04 162.73 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.355 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.2 m -95.34 137.1 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 95.5 mt -150.43 108.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 59.6 42.51 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 66.02 48.32 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -161.75 114.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mm -73.07 108.02 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -92.63 151.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -114.37 148.91 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 874' ' ' ALA . 92.6 t -119.58 158.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . 0.427 ' N ' ' CG1' ' A' ' 873' ' ' VAL . . . -159.56 146.18 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 23.4 mm -59.61 126.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 10.6 t -56.64 105.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -155.37 119.02 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 14.9 t -119.71 146.87 45.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 125.35 -156.22 19.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.97 9.78 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 13.5 t -39.34 -33.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.3 t -96.38 60.91 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 45.3 p 40.61 42.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 68.0 m -95.53 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 99.4 -170.86 23.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 67.9 m -118.99 121.53 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 17.9 m -115.66 125.06 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 130.35 46.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 14.6 p -165.13 121.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 111.079 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 792' ' ' PHE . 6.0 p90 -153.29 168.88 24.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -127.63 -44.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -49.43 137.73 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 5.5 t -91.99 170.8 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 9.3 t -118.59 132.81 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.1 m -98.93 -41.6 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.34 147.43 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.59 110.03 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -94.5 -29.69 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 847' ' ' GLU . 39.8 p-80 -64.89 -20.55 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -79.16 153.95 29.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.462 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.5 mt -131.42 146.43 52.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 843' ' ' LEU . 1.4 t80 -119.42 127.39 53.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.7 mt -121.13 146.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 9.7 t -146.05 161.33 40.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 76.66 22.4 72.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 40.7 mt -81.64 142.39 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 125.81 12.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -44.96 -29.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 26.2 t -55.26 -51.93 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 25.4 t -51.73 161.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 814' ' ' LYS . 12.0 t -145.65 163.87 33.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 813' ' ' THR . 15.2 tttm -37.52 -53.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 818' ' ' GLU . 36.1 mt-10 -49.94 -71.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.08 -58.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 6.0 tp -58.34 -29.13 65.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' GLU . 10.2 tm-20 -72.1 -59.53 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -49.75 -39.83 38.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 823' ' ' ALA . 70.9 mt -68.33 -46.24 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 62.2 m -57.17 -56.95 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 827' ' ' VAL . 0.1 OUTLIER -52.35 -17.97 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 820' ' ' ILE . . . -58.99 -40.14 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -76.77 -60.97 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -135.73 -133.46 3.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 19.3 m -110.55 123.24 49.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 822' ' ' LYS . 72.3 t -91.23 103.91 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -71.67 -54.58 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -144.35 148.09 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.8 tt -139.24 128.32 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.47 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.7 ptp180 -133.29 151.25 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 37.8 mt -114.1 126.09 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 95.1 t -77.01 100.22 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 22.9 p -111.45 -175.79 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.0 p-10 -100.7 -178.63 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -45.36 -39.69 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.36 30.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 45.44 33.56 4.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -86.42 143.19 36.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.16 10.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.81 -7.73 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.29 -23.6 31.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 804' ' ' PHE . 48.4 mt -81.39 144.68 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -147.12 150.98 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.47 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.5 m-85 -120.67 142.91 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 44.2 t -129.71 153.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 801' ' ' HIS . 0.0 OUTLIER -138.25 112.18 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.08 170.89 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -84.62 -50.34 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -105.41 157.36 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -72.58 -48.21 41.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 m -45.17 -52.85 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.78 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 23.2 t -52.78 -58.65 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.73 -56.81 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.81 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.462 ' CG2' HD22 ' A' ' 803' ' ' LEU . 99.9 t -72.88 -49.65 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.8 mtp -55.91 -16.93 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.92 -49.53 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 862' ' ' ASP . 7.8 mtt -65.54 -49.61 68.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.3 p-10 -34.52 108.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.06 48.48 20.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 28.6 ptm -108.56 147.92 31.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.1 m -87.15 132.17 33.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 82.6 mt -142.87 109.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? 58.7 41.7 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 67.05 39.94 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -151.29 106.19 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -68.36 115.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.54 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.21 145.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -111.13 141.44 44.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 25.1 t -121.45 152.73 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.04 145.53 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.34 121.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 28.7 t -42.38 143.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -163.17 119.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.4 t -143.23 123.64 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 158.47 83.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 132.84 24.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.6 m -67.01 159.31 28.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 93.3 p -83.55 -43.08 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 13.5 m -111.72 163.54 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 72.8 m -98.55 147.36 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -138.11 59.23 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 18.7 m -112.01 147.26 36.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 21.4 t -100.44 114.58 28.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 149.02 157.02 7.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.7 -19.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 61.61 48.87 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . 0.478 ' C ' ' CD ' ' A' ' 793' ' ' ARG . 0.0 OUTLIER -84.52 -4.11 58.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -68.09 133.63 49.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 41.9 p -135.83 162.45 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 59.6 m -125.44 -57.34 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 75.0 m -50.27 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 798' ' ' LEU . 7.8 tp -106.21 2.5 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -108.57 93.52 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -96.82 -43.26 7.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -44.5 -47.57 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -61.83 145.78 51.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 14.8 mt -117.31 151.66 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -122.38 110.51 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.0 136.52 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 78.0 p -140.28 155.69 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.48 -3.79 66.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 35.6 mt -61.72 143.45 93.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 164.75 33.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -75.77 -19.09 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 58.8 m -72.76 -41.06 65.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.2 154.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -142.07 158.07 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 815' ' ' GLU . 20.8 ttmt -39.2 -64.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 814' ' ' LYS . 43.9 mt-10 -36.0 -65.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -43.25 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.3 tp -42.19 -49.78 4.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -52.42 -58.45 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -49.56 -45.34 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 33.9 mt -68.9 -25.84 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.57 -56.59 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -55.82 -15.58 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.13 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -87.49 -56.8 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 853' ' ' GLN . . . -137.72 -134.64 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 85.9 m -115.28 119.33 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.79 115.0 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.55 -36.78 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.04 145.08 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 3.0 tt -140.25 128.9 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.426 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 9.8 ptp180 -131.89 147.6 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 92.3 mt -113.59 146.23 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 16.8 t -91.21 133.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 30.9 p -136.53 -178.21 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -119.6 -176.77 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.81 -14.18 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.23 -36.71 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 113.47 -25.28 11.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -60.37 143.94 88.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.8 18.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.386 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -91.33 -4.51 55.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 107.84 -38.48 3.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.53 139.99 57.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.7 157.2 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.426 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.5 m-85 -128.12 139.89 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 26.2 t -129.87 158.2 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -139.6 118.61 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -95.63 -175.15 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -101.96 -37.51 8.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.82 172.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -83.8 -46.23 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.4 t -56.06 -50.15 71.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . 0.426 ' OE1' ' CA ' ' A' ' 825' ' ' GLY . 33.0 mt-30 -50.68 -55.25 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -53.23 -55.96 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.9 t -45.7 -58.78 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -51.65 -52.03 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -48.68 -40.75 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 46.8 t -67.85 -45.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.6 -18.02 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 862' ' ' ASP . 5.1 mtt -82.16 -56.02 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 1.7 p-10 -34.42 113.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 75.26 44.04 23.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 28.3 ptm -108.09 154.09 22.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.5 m -97.43 135.23 39.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 60.3 mt -144.08 121.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt 49.53 38.65 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 69.7 49.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -161.66 111.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -72.64 117.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.2 pp -109.03 148.65 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -107.48 160.04 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 30.7 t -138.4 156.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -162.15 154.72 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.077 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 876' ' ' SER . 34.1 mm -58.31 124.29 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 875' ' ' ILE . 14.5 t -34.93 121.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -135.65 155.48 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.1 m -142.31 118.4 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 54.24 74.98 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -24.37 29.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.1 t -116.31 88.95 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.3 t -56.74 97.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 39.9 p -75.4 161.1 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 42.1 m -152.32 173.85 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 137.81 158.26 7.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 78.2 p -154.96 157.52 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 9.0 t -111.92 92.89 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 164.05 -79.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 35.5 m 41.08 28.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.27 -21.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.26 178.47 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -111.93 13.63 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 12.4 p -55.08 142.4 30.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 35.3 p -102.33 122.31 44.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 17.8 m -81.7 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 34.2 mt -111.05 -175.86 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -97.96 86.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -108.15 37.59 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 39.5 p-80 -102.63 -44.05 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 3.5 mtpm? -57.88 161.53 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.402 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 19.9 mt -130.65 151.3 51.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.51 ' O ' ' CD2' ' A' ' 804' ' ' PHE . 16.1 t80 -126.57 98.41 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.0 mt -95.65 142.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 81.3 p -143.3 150.61 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.5 14.7 55.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 70.0 mt -75.26 141.77 74.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.76 31.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.42 -36.34 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 73.3 m -51.71 -50.87 59.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 18.6 t -51.96 159.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -142.95 165.11 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -38.39 -58.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -44.39 -67.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -39.64 -64.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.1 tp -47.2 -57.4 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -46.86 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -43.03 -40.2 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 64.7 mt -72.17 -42.63 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.37 -56.83 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.23 -17.74 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -83.38 -57.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -137.67 -130.49 2.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' THR . . . . . 0.438 ' N ' ' OE1' ' A' ' 853' ' ' GLN . 58.7 m -120.16 123.12 42.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.93 108.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.06 -37.66 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -165.67 140.27 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.08 133.2 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 832' ' ' LEU . 2.9 tpm_? -129.5 147.0 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 831' ' ' ARG . 15.6 mt -115.61 124.85 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.2 100.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.9 p -112.62 165.06 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.416 ' ND2' ' H ' ' A' ' 839' ' ' LYS . 0.2 OUTLIER -101.31 -174.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 -60.18 -10.15 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -95.83 2.26 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 62.21 27.52 69.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . 0.416 ' H ' ' ND2' ' A' ' 835' ' ' ASN . 26.9 mmtt -110.8 143.9 29.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.8 8.51 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.75 2.3 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 15.53 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 90.54 -32.11 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.31 139.59 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.12 33.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -118.3 137.24 53.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.61 142.61 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -124.58 124.97 43.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.89 -177.61 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.17 -47.86 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -123.68 -175.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -45.04 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 9.6 t -42.58 -57.36 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 826' ' ' THR . 34.0 mt-30 -53.47 -59.03 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -43.29 -47.67 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.1 t -56.21 -57.51 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . 0.439 ' C ' ' OE1' ' A' ' 856' ' ' GLN . 1.3 tm0? -50.44 -56.58 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -50.75 -34.79 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 98.5 t -71.65 -42.79 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.8 mtt -65.33 -22.01 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.27 -60.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.454 ' HB3' ' CG2' ' A' ' 873' ' ' VAL . 7.0 mtt -55.99 -55.14 36.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 9.7 t70 -34.54 98.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.21 45.87 6.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 17.0 ptm -110.29 146.07 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.41 138.19 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 81.5 mt -147.55 110.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 55.35 45.31 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 64.59 45.42 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -158.0 110.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.41 120.69 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.516 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.2 pp -109.18 143.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -105.81 154.07 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 861' ' ' MET . 39.8 t -131.06 134.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -134.18 147.31 50.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 13.2 mm -67.8 105.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.8 t -54.37 100.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -145.73 160.64 41.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 9.6 t -92.19 132.91 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -154.84 83.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 99.78 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.404 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 25.8 p -160.95 159.12 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.0 t -62.85 93.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.505 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 50.1 m -93.97 162.08 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 42.3 t -137.22 141.54 42.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -156.31 89.4 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 26.9 t -75.72 124.18 26.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 38.4 p -108.08 176.15 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 119.09 -46.48 1.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.48 96.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -88.24 93.7 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -138.2 134.07 34.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.97 130.34 45.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 2.3 t -120.79 -42.8 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 51.1 p -88.11 -44.27 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.3 t -65.14 85.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 60.6 mt -122.9 179.53 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -92.07 52.44 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -114.24 71.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -121.95 -48.5 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -62.65 148.94 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.7 mt -117.51 157.7 25.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -136.79 116.83 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 806' ' ' SER . 11.5 mt -111.71 144.25 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 805' ' ' ILE . 3.3 p -137.6 150.44 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.5 42.17 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 69.9 mt -97.78 144.05 27.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.19 27.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -50.76 -26.93 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.0 m -63.01 -50.92 68.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 33.6 t -41.41 162.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.8 t -158.37 157.83 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 815' ' ' GLU . 2.2 tppt? -35.76 -65.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 814' ' ' LYS . 22.0 mt-10 -34.59 -63.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -49.69 -66.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 820' ' ' ILE . 10.3 tp -46.71 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 817' ' ' LEU . 5.1 tt0 -37.37 -50.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -53.98 -42.96 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 817' ' ' LEU . 73.5 mt -69.57 -34.37 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.69 -59.26 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -13.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.62 -36.3 76.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -83.63 -54.0 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -146.9 -150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.9 m -90.52 133.64 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 64.6 t -102.92 109.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -80.41 -44.05 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -154.35 152.79 30.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.6 tt -148.53 125.34 11.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 12.7 ptm180 -129.47 148.36 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 26.5 mt -119.12 120.02 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.98 92.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 50.3 p -94.17 -176.05 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -108.9 -179.12 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.9 mtm-85 -53.63 -29.38 37.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.09 -28.08 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 120.56 -8.06 11.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 143.84 84.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.65 8.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -84.23 -15.95 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.85 7.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 15.2 mt -82.38 124.99 30.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -126.96 132.85 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.471 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.3 m-85 -106.61 137.6 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 47.5 t -122.6 154.43 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.43 110.21 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -92.1 -178.23 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.63 -34.27 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.75 152.6 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.85 -55.61 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 52.2 m -38.96 -58.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -47.7 -63.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -43.29 -53.35 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -46.72 -62.94 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -50.76 -56.17 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 861' ' ' MET . . . -46.77 -34.01 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.417 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -76.06 -49.14 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 56.0 mmm -57.48 -19.52 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -101.23 -44.72 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 857' ' ' ALA . 2.4 mmt -68.94 -51.84 35.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.447 ' N ' HG21 ' A' ' 873' ' ' VAL . 0.9 OUTLIER -40.5 114.26 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.48 45.62 36.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 20.9 ptm -107.63 154.64 21.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.8 m -95.86 118.66 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 86.4 mt -125.63 109.63 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.97 37.13 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 72.23 45.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -154.59 105.38 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.78 107.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.514 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -98.66 146.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 21.8 tttm -106.68 147.52 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 861' ' ' MET . 59.2 t -123.68 149.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . 0.437 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -155.27 146.59 22.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 49.4 mm -60.21 115.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.6 t -34.58 142.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -78.03 120.92 23.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 60.2 p -168.46 133.06 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 143.69 -158.2 27.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 148.58 65.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.4 t -72.01 91.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 19.6 m -123.28 120.23 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 8.9 t -169.71 112.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 37.3 p -90.22 175.31 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 119.88 59.85 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 13.4 t -127.26 86.17 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 41.7 m -124.18 157.66 34.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -93.23 157.57 23.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 792' ' ' PHE . 13.9 p -126.03 139.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.157 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.406 ' N ' HG22 ' A' ' 791' ' ' VAL . 20.4 p90 -165.56 115.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 170.06 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -92.78 167.75 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 38.7 t -120.2 116.22 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 8.4 m -98.92 119.46 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 75.0 p -79.61 -34.39 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 798' ' ' LEU . 1.2 mm? -58.6 -177.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.71 34.96 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -82.07 46.21 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 33.2 p-80 -112.7 -49.9 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.795 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 48.0 mttt -54.38 160.85 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.473 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 11.5 mt -133.99 150.46 51.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 843' ' ' LEU . 14.3 t80 -122.11 101.78 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.5 mt -95.86 138.06 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.465 ' CB ' HD21 ' A' ' 843' ' ' LEU . 7.5 t -138.94 160.25 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.7 -10.84 73.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.71 141.6 13.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -53.46 -27.5 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.5 t -71.39 -37.92 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 17.1 t -39.51 141.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 6.1 t -128.11 154.3 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -44.93 -58.64 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.75 -61.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -40.8 -65.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 12.2 tp -48.88 -57.32 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -41.79 -56.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.74 -43.1 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.8 -36.22 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 30.8 m -68.53 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -52.75 -17.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -88.89 -51.3 5.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.7 6.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 66.4 m -93.29 116.39 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.148 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.52 117.76 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -88.72 -40.71 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -160.39 145.57 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.5 tt -135.82 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.427 ' NE ' HG21 ' A' ' 833' ' ' VAL . 0.0 OUTLIER -122.13 149.61 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 65.9 mt -113.37 133.75 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 843' ' ' LEU . 72.1 t -89.92 104.74 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 16.1 p -113.98 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.71 -179.78 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -48.79 -37.2 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -97.03 36.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.73 24.23 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -78.58 143.75 64.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 121.58 8.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.286 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.07 9.87 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 69.68 25.59 75.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . 0.509 HD22 ' CE1' ' A' ' 804' ' ' PHE . 33.2 mt -128.4 144.15 51.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.89 141.8 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -107.6 145.01 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 81.3 t -124.66 150.14 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.69 114.59 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -98.07 177.18 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.86 -43.06 9.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -120.52 160.54 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.1 -60.41 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 75.0 m -38.31 -50.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -53.8 -52.97 58.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -50.73 -60.58 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 858' ' ' VAL . 7.6 t -44.37 -61.85 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -41.26 -52.48 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.473 ' CG2' ' CD2' ' A' ' 803' ' ' LEU . 98.6 t -71.19 -46.16 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 12.0 mtp -64.64 -51.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.48 -60.65 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 862' ' ' ASP . 4.7 mtp -58.4 -44.74 89.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.8 OUTLIER -35.7 110.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.37 50.07 40.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 21.0 ptm -110.28 152.38 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 5.8 m -89.57 134.45 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 49.0 mt -141.4 109.64 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 55.28 40.27 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 71.44 40.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -149.59 112.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.07 106.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.551 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 0.9 OUTLIER -97.55 151.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -116.02 148.23 40.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.415 ' CG1' ' HA ' ' A' ' 858' ' ' VAL . 78.5 t -123.08 119.06 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -120.38 154.81 34.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.76 124.75 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 26.3 t -56.44 126.87 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -71.93 -61.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 156.24 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -59.12 156.7 24.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 38.7 m -100.67 97.48 8.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 84.6 p -50.17 128.07 18.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 49.0 m -108.28 178.01 4.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.8 t -49.69 170.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 94.45 -170.97 30.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 57.9 m -76.59 80.54 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 2.9 m -166.61 109.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 60.42 158.05 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 24.6 m -60.08 138.33 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 792' ' ' PHE . 1.4 p90 -102.05 144.85 30.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -125.07 -58.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -108.68 119.67 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 6.9 t -136.3 116.91 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.57 93.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.5 t -91.51 157.68 16.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 5.7 mp -121.9 146.7 46.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -94.91 99.0 11.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -125.19 23.78 7.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -83.94 -34.49 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . 0.421 ' C ' ' HB3' ' A' ' 876' ' ' SER . 32.2 mmtt -67.81 152.73 45.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.404 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 13.7 mt -124.97 153.2 43.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.412 ' CE1' HD23 ' A' ' 843' ' ' LEU . 13.8 t80 -129.2 109.15 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 4.2 mt -103.85 135.49 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.458 ' CB ' HD22 ' A' ' 843' ' ' LEU . 91.9 p -134.19 160.14 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.06 76.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 40.8 mt -55.64 142.7 61.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.951 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -97.83 -38.88 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 812' ' ' CYS . 16.0 m -56.22 -47.73 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 811' ' ' SER . 4.0 t -35.17 152.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 5.2 t -145.46 156.59 43.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -41.94 -62.03 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.55 -60.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -43.25 -71.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 12.5 tp -44.97 -57.97 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 830' ' ' LEU . 4.9 tm-20 -42.68 -49.73 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.37 -38.18 76.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.94 -32.75 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 40.5 m -71.06 -54.86 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -16.79 4.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.73 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -76.69 -52.14 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.47 -157.38 7.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 90.1 m -83.64 122.66 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 94.0 t -91.3 113.95 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -82.21 -49.67 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -151.65 157.8 42.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . 0.409 ' CD1' ' HA ' ' A' ' 818' ' ' GLU . 2.8 tt -147.56 125.42 11.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -127.92 151.99 48.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 67.6 mt -118.53 126.47 52.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 41.6 t -77.6 127.98 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 7.4 p -131.88 -177.4 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -101.51 -179.71 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -48.34 -31.54 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -100.49 33.12 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 49.95 29.17 13.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -86.99 143.57 35.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 33.5 mtpt -100.07 -11.53 20.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.01 13.94 41.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 806' ' ' SER . 41.2 mt -123.18 139.36 54.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -148.39 154.73 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.15 138.34 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 847' ' ' GLU . 28.8 t -123.41 142.42 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.449 ' N ' HG12 ' A' ' 846' ' ' VAL . 19.7 tt0 -122.82 124.38 43.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.94 -179.8 4.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -85.27 -42.72 14.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -129.34 -179.19 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -81.57 -51.27 8.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 37.0 t -38.63 -59.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -50.0 -56.75 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -45.84 -59.18 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -43.6 -57.47 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.48 -54.2 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.37 -34.21 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.404 ' CG2' ' CD2' ' A' ' 803' ' ' LEU . 59.2 t -73.08 -46.85 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.3 mmt -61.49 -23.21 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -91.88 -61.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.42 ' CB ' HG21 ' A' ' 873' ' ' VAL . 29.0 mtt -52.79 -35.79 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.451 ' N ' HG21 ' A' ' 873' ' ' VAL . 3.2 t70 -51.56 122.6 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.48 92.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.438 ' HG2' ' CD1' ' A' ' 871' ' ' ILE . 23.5 ptm -109.57 146.81 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.7 m -89.53 129.92 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . 0.428 ' CG1' ' HE3' ' A' ' 864' ' ' MET . 96.4 mt -137.06 111.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp 58.36 36.9 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 72.26 48.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -158.8 107.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.3 mm -67.24 106.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.3 pp -96.75 149.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -111.9 156.84 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.451 HG21 ' N ' ' A' ' 862' ' ' ASP . 11.9 t -126.24 149.13 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.03 142.68 22.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 876' ' ' SER . 47.3 mm -57.11 118.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 875' ' ' ILE . 3.6 p -35.98 118.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -104.33 110.82 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.1 t -105.27 91.08 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 96.51 81.66 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -15.96 37.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.9 t -87.92 -60.82 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 23.6 m -131.59 150.35 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 43.1 m -158.45 135.91 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.4 t -83.54 161.33 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -166.16 -179.57 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.9 m -134.57 -61.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 48.5 t -55.52 132.59 48.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -158.78 -141.49 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 27.4 m -97.83 142.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.87 156.48 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 795' ' ' SER . 80.2 mtt180 -39.56 -73.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -55.24 85.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 793' ' ' ARG . 1.3 t -101.2 84.7 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 8.8 t -97.82 149.03 22.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.1 p -47.97 121.84 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 11.7 mt -116.58 168.05 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.1 47.25 2.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -107.26 -39.57 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -43.26 -35.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -62.81 165.32 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.469 ' CD2' ' CG2' ' A' ' 858' ' ' VAL . 33.2 mt -134.63 145.87 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.529 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 42.1 t80 -121.85 104.82 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 3.8 mt -101.92 138.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.529 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 1.7 m -137.29 144.66 42.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 91.93 40.66 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 871' ' ' ILE . 48.1 mt -101.87 144.11 27.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.12 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -47.52 -35.47 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 31.7 m -54.28 -50.79 66.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.24 151.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.9 t -138.18 157.53 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.3 OUTLIER -36.13 -64.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 818' ' ' GLU . 79.0 mm-40 -36.16 -68.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 13.7 mt-10 -37.41 -62.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.7 tp -56.91 -31.24 64.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 815' ' ' GLU . 19.4 tt0 -63.97 -57.59 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.4 pt-20 -55.0 -38.91 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 98.7 mt -70.19 -45.13 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 98.3 m -61.76 -55.26 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -53.48 -16.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.38 77.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . 0.504 ' CD2' ' HE3' ' A' ' 861' ' ' MET . 80.4 m-70 -66.16 -52.97 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -142.24 -126.3 2.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 88.7 m -123.59 114.42 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.96 120.03 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -94.87 -38.34 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -157.43 145.22 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.4 tt -139.61 128.3 23.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.454 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.0 ptp180 -131.34 153.08 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 38.7 mt -118.0 123.49 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.01 90.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.1 p -93.99 173.6 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.3 t-20 -94.01 173.2 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -38.84 -46.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.9 37.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 47.18 40.02 13.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.53 145.75 30.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.18 14.22 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -110.62 -8.23 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.83 -38.83 2.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 51.0 mt -68.22 138.96 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.17 145.69 36.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.454 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -117.46 133.47 55.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 59.1 t -123.23 151.54 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.52 112.49 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -93.68 172.66 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.37 -49.24 8.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -109.46 171.72 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.13 -47.27 11.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 55.7 m -46.39 -51.77 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.59 -58.32 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -44.85 -54.45 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 47.3 t -48.54 -64.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -44.93 -53.47 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.437 ' HB3' ' CD2' ' A' ' 824' ' ' HIS . . . -54.23 -41.0 68.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 59.0 t -57.71 -45.98 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -58.19 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -57.65 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.504 ' HE3' ' CD2' ' A' ' 824' ' ' HIS . 31.1 mtt -63.23 -45.85 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -39.67 96.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 861' ' ' MET . . . 82.42 44.82 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 19.7 ptm -106.66 147.11 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.1 m -83.15 141.85 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 92.2 mt -151.62 107.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 816' ' ' GLU . 24.1 mtmm 59.37 35.44 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.42 44.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -155.95 112.79 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.71 114.72 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.45 149.96 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -114.87 153.15 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 861' ' ' MET . 24.0 t -132.5 131.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -129.8 147.04 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 876' ' ' SER . 36.8 mm -59.56 114.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.2 t -35.04 130.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.62 141.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 59.6 p -169.41 160.58 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 138.33 145.21 4.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 98.58 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 42.1 t -67.99 81.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 84.7 p -58.66 -53.01 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 90.1 p -134.17 147.89 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 17.5 t -83.81 -51.61 7.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -136.64 57.99 0.66 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 22.1 m 59.54 35.91 22.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 54.7 m -60.62 126.38 27.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -94.56 162.9 24.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 35.4 m -105.67 39.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.96 175.84 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.54 -47.78 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -104.36 127.66 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 60.6 p -60.18 126.65 28.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 88.3 m -107.35 97.79 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 64.8 m -80.48 -43.77 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 799' ' ' GLU . 1.0 OUTLIER -40.81 142.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 798' ' ' LEU . 1.1 pm0 -34.82 117.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 25.72 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -93.75 -46.67 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -56.69 179.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 848' ' ' TYR . 14.2 mt -146.68 153.59 40.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.409 ' CD1' ' C ' ' A' ' 804' ' ' PHE . 3.1 t80 -127.7 134.06 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 10.0 mt -132.98 146.81 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.7 p -138.53 155.76 48.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 78.88 55.93 3.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . 0.407 HD21 ' CG2' ' A' ' 871' ' ' ILE . 42.7 mt -110.91 143.14 27.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 810' ' ' PHE . 53.5 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 809' ' ' PRO . 22.6 m-85 -36.96 -35.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 40.8 m -57.27 -50.81 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 38.8 t -41.14 150.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 11.3 t -138.02 159.09 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 815' ' ' GLU . 36.9 ttmt -44.06 -63.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 814' ' ' LYS . 17.4 mt-10 -35.41 -66.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -40.8 -72.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 818' ' ' GLU . 12.0 tp -46.4 -63.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 817' ' ' LEU . 28.4 tt0 -35.67 -54.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.86 -54.29 44.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 37.3 mt -54.99 -33.95 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 87.4 m -66.55 -44.98 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.23 -35.71 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.55 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . 0.414 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 93.5 m-70 -75.27 -56.84 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.9 -155.56 6.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 23.8 m -93.39 118.54 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.84 112.03 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -79.83 -35.73 37.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -168.67 156.45 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 830' ' ' LEU . 3.4 tt -143.92 134.0 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.471 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 4.1 ptp180 -131.27 150.1 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 85.8 mt -118.02 144.62 45.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.5 115.25 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 71.3 p -112.48 -176.94 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 838' ' ' GLY . 62.8 t30 -122.02 174.23 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -44.03 -41.0 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.4 ' O ' ' CE ' ' A' ' 839' ' ' LYS . . . -90.0 31.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 52.34 23.2 12.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 837' ' ' ALA . 6.6 mmpt? -85.64 141.32 36.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 114.14 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -71.41 -18.36 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.43 -31.38 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 23.0 mt -70.86 155.39 40.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -150.21 128.32 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.471 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.5 m-85 -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.78 150.42 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -128.73 112.39 14.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . 0.514 ' CE1' HD11 ' A' ' 803' ' ' LEU . 27.8 m-85 -100.25 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -89.27 -45.49 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -117.27 141.48 48.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.89 -44.53 78.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 19.3 m -48.72 -57.39 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -49.97 -48.69 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -55.23 -44.71 75.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 14.7 t -55.29 -61.04 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.87 -57.13 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.414 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -45.8 -39.47 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.449 ' CG2' HD23 ' A' ' 803' ' ' LEU . 89.3 t -69.82 -53.41 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 23.4 mtm -51.67 -23.18 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -93.44 -46.77 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 862' ' ' ASP . 7.7 mtt -69.93 -57.02 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -34.41 114.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.88 45.13 34.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.422 ' CG ' HG13 ' A' ' 871' ' ' ILE . 27.1 ptm -109.12 167.56 10.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.2 m -106.36 131.72 53.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 86.8 mt -143.1 106.57 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp 62.87 40.3 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 67.3 44.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -153.18 109.66 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.8 mm -69.16 110.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.517 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -96.6 146.1 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -110.01 150.08 29.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.407 HG22 ' CB ' ' A' ' 861' ' ' MET . 74.9 t -126.87 148.33 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -155.19 137.52 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.36 121.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 9.7 p -38.67 156.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -166.04 126.28 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 3.2 m -118.86 136.75 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -151.79 83.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 85.13 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.2 t 51.85 44.72 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 100.0 p -93.58 -41.35 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 68.8 m 39.5 50.36 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 82.7 p -92.54 120.86 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -105.63 -41.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 5.2 t -94.33 143.69 26.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.841 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 19.3 m 65.55 43.27 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -106.18 -124.29 5.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.44 135.41 49.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -156.27 134.11 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -76.91 166.14 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -119.1 94.59 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 57.3 m -113.29 146.36 39.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 71.5 p -121.26 40.08 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 94.6 p -105.86 163.3 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 6.1 mp -123.12 44.79 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.66 80.18 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -107.31 -40.73 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.467 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 3.4 p-80 -48.04 -34.25 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . 0.467 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 15.1 mtpt -80.34 151.74 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 858' ' ' VAL . 11.6 mt -124.29 159.1 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 804' ' ' PHE . 2.4 t80 -128.97 114.0 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 806' ' ' SER . 5.2 mt -108.49 150.1 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.429 ' N ' HG21 ' A' ' 805' ' ' ILE . 90.6 p -148.7 156.35 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.15 32.32 32.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 75.8 mt -91.22 143.17 27.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 141.73 46.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.54 -22.05 64.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 4.0 t -64.59 -48.2 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.35 170.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.5 t -148.92 170.3 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -47.96 -58.06 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 816' ' ' GLU . 49.6 mt-10 -40.83 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 38.1 mm-40 -36.46 -58.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 7.3 tp -54.14 -41.77 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 815' ' ' GLU . 1.2 tp10 -60.46 -60.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.2 pt-20 -51.83 -46.4 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.21 -31.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 96.6 m -78.93 -36.7 41.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.18 -26.97 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -67.79 -45.68 74.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -66.26 -49.28 67.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -165.57 -153.98 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 52.4 m -87.49 129.53 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.184 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.93 116.72 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -84.79 -44.56 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -161.4 145.8 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 831' ' ' ARG . 2.6 tt -137.26 129.05 28.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.462 ' N ' HD21 ' A' ' 830' ' ' LEU . 24.0 ptt180 -135.84 152.63 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.24 144.36 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.6 t -87.11 133.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.5 p -133.29 -177.98 4.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -110.74 -176.29 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -56.11 -38.91 71.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.99 25.26 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 56.35 30.37 58.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.07 141.4 29.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 130.19 18.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -97.38 -18.63 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.68 -11.39 56.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.61 151.15 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.38 24.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.433 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.8 m-85 -105.94 125.77 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.0 150.75 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -137.54 106.66 6.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -88.74 -178.98 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.0 -38.82 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -120.63 159.26 25.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 852' ' ' SER . 14.2 pt-20 -71.14 -44.24 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 70.8 m -48.75 -59.04 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -47.42 -58.61 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -44.64 -53.9 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 32.5 t -49.25 -59.68 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -49.72 -52.08 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.9 -32.04 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.469 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 86.3 t -72.93 -42.69 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.19 -23.84 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -90.02 -57.38 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 862' ' ' ASP . 11.2 mmm -60.15 -51.92 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 30.4 t70 -37.71 105.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.532 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 16.8 ptm -108.61 152.06 25.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -94.63 133.15 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 83.4 mt -140.02 107.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 57.82 41.59 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 69.23 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -150.38 105.72 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.66 112.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.527 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -102.12 142.96 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -103.73 155.99 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . 0.445 HG23 ' N ' ' A' ' 862' ' ' ASP . 5.2 t -139.67 144.36 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.54 151.75 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.1 130.67 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 7.5 p -56.72 113.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 877' ' ' ASN . 4.1 p-10 -132.08 92.08 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 70.8 p -37.46 107.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -147.22 178.12 25.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.9 t -60.22 151.64 26.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 8.5 t -41.1 -49.74 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 44.5 m -149.29 113.82 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 4.0 m -129.89 152.79 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -55.99 127.17 42.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 35.9 t -114.74 115.64 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 5.0 m -99.58 -46.31 5.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 88.0 -89.47 1.61 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.45 145.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.45 135.65 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -130.86 93.45 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.59 104.85 16.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 77.8 p -73.08 -31.86 64.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 67.7 p -129.19 91.49 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -73.86 84.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . 0.44 ' N ' HD22 ' A' ' 798' ' ' LEU . 4.5 mm? -77.84 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -87.95 47.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -89.8 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.533 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 22.0 p-80 -105.13 -37.37 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . 0.533 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 33.4 mtpt -69.35 159.12 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 9.6 mt -133.85 165.52 24.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.403 ' CZ ' HD23 ' A' ' 843' ' ' LEU . 3.7 t80 -137.76 136.61 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.06 138.55 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 87.8 p -135.84 161.0 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 77.46 36.89 32.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 40.9 mt -97.36 143.91 27.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.953 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.36 17.38 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -44.0 -35.29 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 89.7 p -53.44 -51.05 63.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 1.9 t -39.82 156.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 814' ' ' LYS . 14.7 t -149.09 158.86 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.0 OUTLIER -35.68 -65.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 816' ' ' GLU . 3.7 mp0 -36.52 -71.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 815' ' ' GLU . 38.3 mm-40 -36.04 -67.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 10.4 tp -47.22 -61.18 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.88 -54.04 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.99 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.4 -29.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 92.9 m -81.02 -60.43 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . 0.407 ' C ' ' HD3' ' A' ' 822' ' ' LYS . 0.0 OUTLIER -44.43 -28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.93 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.57 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' THR . . . . . 0.516 ' O ' ' CD2' ' A' ' 848' ' ' TYR . 99.5 m -96.23 131.87 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 89.8 t -100.1 104.26 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -70.07 -42.22 73.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -162.19 147.26 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.4 tt -136.24 127.87 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . 0.469 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 8.7 ptp85 -128.76 145.47 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.431 HD13 ' CA ' ' A' ' 814' ' ' LYS . 43.2 mt -119.64 123.28 43.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.37 111.37 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 32.2 p -105.87 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -109.57 -175.02 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -58.63 -35.19 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 11.26 21.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 73.27 32.13 60.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -101.51 142.11 23.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -76.85 -16.33 59.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 118.77 -42.51 1.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . 0.403 HD23 ' CZ ' ' A' ' 804' ' ' PHE . 62.6 mt -65.91 136.76 56.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.32 128.51 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . 0.469 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.8 m-85 -102.65 137.73 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 847' ' ' GLU . 28.2 t -126.85 145.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.461 ' N ' HG11 ' A' ' 846' ' ' VAL . 29.1 tt0 -131.62 111.21 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' THR . 16.7 m-85 -92.25 -176.57 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -95.02 -43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.478 ' OD1' ' NE2' ' A' ' 853' ' ' GLN . 0.4 OUTLIER -117.83 149.99 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.21 -52.94 62.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 78.6 p -44.78 -57.43 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 850' ' ' ASN . 30.2 mt-30 -48.17 -48.32 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -61.49 -51.91 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 46.3 t -45.94 -54.32 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.59 -52.87 62.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.75 24.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.437 ' O ' ' CB ' ' A' ' 862' ' ' ASP . 85.8 t -73.23 -49.23 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 41.2 mtm -58.52 -26.94 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -89.76 -60.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' MET . . . . . . . . . . . . . 36.3 mmm -55.23 -45.09 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 14.8 t70 -43.47 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 67.58 49.1 52.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.429 ' HE3' ' CG1' ' A' ' 866' ' ' ILE . 23.1 ptm -108.76 166.59 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 4.0 m -99.2 135.7 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . 0.429 ' CG1' ' HE3' ' A' ' 864' ' ' MET . 96.2 mt -149.37 111.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 60.34 38.55 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.0 46.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -157.92 116.5 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 8.8 mm -71.14 115.05 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.538 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -103.69 145.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -106.03 145.76 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.84 143.18 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -147.6 148.58 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 47.7 mm -61.43 126.82 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 23.2 t -43.21 145.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -68.05 120.77 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 43.1 m -92.39 -54.41 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 172.75 146.28 5.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -40.11 5.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 118.62 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 82.7 p -57.82 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 19.5 m 42.37 41.96 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 3.4 t -117.61 132.92 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 75.35 92.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 27.4 p -76.91 105.56 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.821 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 44.8 t -60.5 136.29 58.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -159.84 46.74 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 10.5 p -154.11 138.01 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -123.82 132.22 53.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -98.6 -176.27 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 794' ' ' TYR . 1.0 OUTLIER -128.7 133.9 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 42.7 t -136.77 143.01 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 21.3 p -67.07 -6.07 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.2 t -135.69 136.45 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.1 114.62 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -110.12 -25.48 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -49.91 -34.02 19.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -79.93 166.59 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' A' ' 858' ' ' VAL . 9.5 mt -137.31 164.21 29.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . 0.518 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 74.7 t80 -136.2 128.05 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 7.9 mt -124.96 134.75 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' SER . . . . . 0.518 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 5.0 m -135.37 151.29 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.27 33.17 18.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 30.7 mt -92.98 143.19 26.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.07 16.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.24 -45.27 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 66.6 m -39.06 -51.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.1 170.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 8.9 t -158.43 176.49 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -50.2 -44.05 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.95 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -50.7 -56.82 10.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.34 -65.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 818' ' ' GLU . 0.0 OUTLIER -38.29 -44.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -57.75 -59.26 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . 0.435 HG21 ' CE ' ' A' ' 861' ' ' MET . 57.6 mt -47.76 -39.37 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 89.1 m -62.52 -49.61 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -50.25 -35.55 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.21 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 81.7 m-70 -70.08 -58.21 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.41 -147.35 4.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 99.8 m -98.82 128.37 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 51.2 t -101.85 111.94 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -73.89 -38.59 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -169.82 144.74 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 5.5 tt -118.65 139.21 51.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -122.88 138.02 54.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 23.7 mt -120.31 122.65 41.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.16 114.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 80.6 p -121.16 172.86 7.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 838' ' ' GLY . 5.9 p-10 -94.61 175.22 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -40.07 -42.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.02 34.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 41.64 45.57 4.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -96.88 142.52 24.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.22 5.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -103.85 -1.95 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.25 2.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.87 132.55 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -155.23 145.9 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -108.76 155.84 20.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.79 143.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -125.63 105.94 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . 0.454 ' CE1' HD11 ' A' ' 803' ' ' LEU . 19.9 m-85 -89.31 178.67 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -73.86 -49.62 24.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -125.91 -175.63 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -78.98 -44.0 23.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 17.1 t -43.74 -64.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -44.28 -55.56 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -44.29 -53.93 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 7.7 t -51.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -47.67 -57.04 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . 0.456 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -52.44 -33.01 42.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . 0.457 ' CG2' HD22 ' A' ' 803' ' ' LEU . 69.6 t -72.3 -45.37 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 38.2 mtp -60.6 -29.29 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -88.25 -55.62 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.435 ' CE ' HG21 ' A' ' 820' ' ' ILE . 6.2 mmt -58.73 -46.33 87.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 7.4 t70 -43.21 112.16 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 65.01 49.85 60.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.0 ptm -110.59 156.01 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 130.27 42.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 97.1 mt -136.68 111.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 30.9 mttm 53.07 40.76 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 71.97 46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -156.67 114.97 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mm -76.65 105.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.536 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.0 OUTLIER -95.4 144.85 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -106.37 148.33 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.44 148.5 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -160.24 155.25 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.2 mm -56.64 123.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.0 p -37.55 149.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -130.59 96.34 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 13.6 t -91.73 -57.51 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 96.41 83.67 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 167.9 23.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.6 m -66.51 103.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.5 t -80.91 83.27 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 31.0 t -136.52 134.1 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 15.3 m -60.8 135.34 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 169.1 -104.78 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 54.3 m 45.62 42.07 7.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.884 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 52.6 p -115.85 118.34 32.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -45.94 162.93 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.4 137.49 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.85 105.15 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -100.53 88.99 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -117.19 160.65 20.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 71.2 m -82.43 -47.86 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 52.1 m -118.26 124.11 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -46.38 100.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.32 167.17 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.58 109.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 801' ' ' HIS . 12.9 tttm -105.36 -47.4 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 800' ' ' LYS . 8.1 p-80 -38.01 -43.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -53.96 162.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' LEU . . . . . . . . . . . . . 8.6 mt -137.67 143.13 41.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -113.89 117.42 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 2.1 mt -113.72 148.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 64.5 p -149.48 156.73 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 86.4 27.56 29.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 33.6 mt -89.49 143.89 31.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.88 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.254 . . . . 0.0 112.352 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -47.14 -41.44 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.9 m -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 51.1 t -53.19 149.41 7.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.87 170.38 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' LYS . . . . . 0.421 ' N ' ' OG1' ' A' ' 813' ' ' THR . 0.7 OUTLIER -53.43 -57.14 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -43.64 -58.99 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.82 -44.69 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.01 -35.21 74.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.73 -60.41 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -40.55 92.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' ILE . . . . . 0.456 HG22 ' CE ' ' A' ' 861' ' ' MET . 89.9 mt -66.24 -25.8 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 75.8 m -87.88 -24.68 23.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -63.26 -41.44 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.2 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -61.99 -55.23 31.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.14 8.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 94.7 m -85.31 130.61 34.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 111.145 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 76.5 t -97.3 105.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -75.73 -39.29 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -163.21 158.98 22.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.4 tt -147.96 125.4 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -128.77 147.95 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 11.9 mt -115.52 125.21 52.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.56 82.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.4 p -90.57 179.62 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 838' ' ' GLY . 4.0 p-10 -96.36 175.61 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -40.36 -42.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 34.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 42.52 41.46 4.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -94.0 144.11 27.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.81 4.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -100.05 -6.13 26.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.53 -34.32 5.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.11 148.18 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -155.43 143.58 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -114.59 137.45 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.27 149.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -133.54 100.21 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -82.49 -176.85 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -91.26 -43.81 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -122.75 170.66 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.92 -40.83 60.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 18.3 m -50.02 -56.94 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.22 -52.64 51.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' ALA . . . . . . . . . . . . . . . -48.2 -47.59 35.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.0 t -57.2 -55.6 32.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.34 35.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.96 -47.41 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 29.9 mmm -60.08 -17.19 37.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -101.5 -43.43 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' MET . . . . . 0.456 ' CE ' HG22 ' A' ' 820' ' ' ILE . 6.5 mtt -71.72 -50.67 28.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.0 p-10 -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.02 47.4 24.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' MET . . . . . 0.446 ' CG ' HG13 ' A' ' 871' ' ' ILE . 24.0 ptm -103.44 155.57 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.5 m -97.39 129.38 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 73.7 mt -138.37 105.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.23 48.62 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 63.27 48.33 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.58 113.09 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.4 mm -76.84 115.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.529 ' CD1' ' C ' ' A' ' 871' ' ' ILE . 1.1 pp -103.83 144.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -112.2 140.98 46.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' VAL . . . . . . . . . . . . . 6.1 t -119.43 165.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -160.1 153.72 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 876' ' ' SER . 49.5 mm -74.04 115.72 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.6 t -36.44 118.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -165.25 153.16 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 58.0 m -167.39 167.56 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -160.35 -95.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.18 27.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 86.7 p -96.8 -44.78 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 m -86.76 129.54 34.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.45 149.02 10.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 1.062 HD21 ' HB1' ' A' ' 854' ' ' ALA . 7.1 mt -127.45 150.17 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.625 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 56.3 t80 -123.77 128.33 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.677 ' CG2' HD13 ' A' ' 871' ' ' ILE . 5.4 mt -125.3 122.54 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 89.4 p -119.08 158.66 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 807' ' ' GLY . . . . . 0.673 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 78.56 50.4 6.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.935 HD23 HG21 ' A' ' 871' ' ' ILE . 30.6 mt -110.91 144.04 29.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -43.66 -37.61 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 811' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 812' ' ' CYS . 21.2 t -54.08 -46.67 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 812' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 811' ' ' SER . 45.6 t -37.71 142.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 816' ' ' GLU . 12.9 t -125.79 155.19 41.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.455 ' CA ' HD11 ' A' ' 832' ' ' LEU . 11.9 tttp -46.76 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 815' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 814' ' ' LYS . 34.8 mt-10 -35.53 -57.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 816' ' ' GLU . . . . . 0.503 ' H ' HG23 ' A' ' 813' ' ' THR . 27.6 mt-10 -43.56 -62.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 817' ' ' LEU . 11.4 tp -57.08 -36.27 70.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.38 -57.85 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.3 pt-20 -56.19 -38.32 70.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 820' ' ' ILE . . . . . 0.405 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 64.4 mt -71.93 -33.26 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 65.2 m -69.47 -51.27 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -61.52 -10.17 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 823' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -71.7 -24.21 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -95.22 -48.67 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.09 -154.1 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 96.4 m -84.86 124.57 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.59 101.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 828' ' ' LYS . 2.8 mmmp? -66.46 -47.26 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -161.96 153.16 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 831' ' ' ARG . 2.6 tt -139.58 131.53 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.462 ' N ' HD23 ' A' ' 830' ' ' LEU . 10.4 tpp180 -135.27 143.51 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.455 HD11 ' CA ' ' A' ' 814' ' ' LYS . 12.7 mt -115.14 119.59 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 833' ' ' VAL . . . . . 0.439 HG12 ' HD3' ' A' ' 841' ' ' LYS . 59.8 t -61.75 106.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 25.8 p -104.05 170.14 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 839' ' ' LYS . 51.4 t30 -96.75 177.79 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -58.21 -29.55 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.4 -3.3 57.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 91.15 17.71 49.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 835' ' ' ASN . 5.3 mmmm -91.55 143.68 28.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.439 ' HD3' HG12 ' A' ' 833' ' ' VAL . 28.6 mtpp -77.49 -3.98 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.18 -27.28 20.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.625 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 23.6 mt -81.82 143.09 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.0 23.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -108.06 147.42 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.94 151.08 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -131.25 123.04 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.1 172.53 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -88.11 -42.03 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -111.57 -179.09 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -95.4 -44.66 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 27.3 t -56.57 -41.39 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.8 -54.1 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 1.062 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -54.96 -45.83 74.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.1 t -51.64 -53.51 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.09 -51.76 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -56.68 -33.69 66.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.741 ' CG2' HD22 ' A' ' 803' ' ' LEU . 96.1 t -72.12 -38.49 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 2.2 mtp -67.8 -29.03 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -89.44 -57.95 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.585 ' CB ' HG21 ' A' ' 873' ' ' VAL . 27.9 mtt -55.46 -35.86 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 6.8 t70 -52.24 112.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.68 48.84 47.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.3 ptm -110.58 149.39 30.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.0 m -90.51 129.03 36.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.05 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 57.25 34.91 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 74.5 48.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -158.16 114.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -70.95 111.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.935 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -102.83 145.2 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 872' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 35.7 tttp -111.59 149.34 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 861' ' ' MET . 25.6 t -115.7 157.91 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.473 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -159.9 129.95 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.636 ' CD1' HG21 ' A' ' 858' ' ' VAL . 30.8 mm -61.82 115.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 52.0 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.466 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 37.9 mttp -61.81 150.61 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.7 mt -122.27 149.1 44.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -123.91 118.51 27.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 871' ' ' ILE . 2.8 mt -113.48 151.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 25.1 p -148.38 154.08 39.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.04 16.1 65.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.733 HD23 HG21 ' A' ' 871' ' ' ILE . 36.0 mt -74.65 142.81 77.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.17 18.88 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -46.34 -44.34 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 7.7 t -43.82 -51.8 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.6 154.6 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -141.61 -178.81 5.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.453 ' HG3' HD22 ' A' ' 830' ' ' LEU . 8.4 ttmm -54.89 -47.37 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.8 -60.27 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.66 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 818' ' ' GLU . 13.7 tp -44.99 -64.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 817' ' ' LEU . 40.3 tt0 -35.64 -57.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.71 -59.35 3.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 98.2 mt -48.04 -36.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 99.4 m -71.11 -36.6 72.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -61.19 -21.1 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.95 -41.94 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -70.18 -39.44 75.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -173.23 -150.99 7.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 40.8 m -93.95 126.29 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.52 106.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.44 -48.39 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.89 156.93 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.453 HD22 ' HG3' ' A' ' 814' ' ' LYS . 4.6 tt -145.35 129.04 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.417 ' N ' HD23 ' A' ' 830' ' ' LEU . 20.4 ttt180 -132.75 140.31 48.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.546 HD23 ' HB1' ' A' ' 844' ' ' ALA . 15.9 mt -115.84 137.23 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.02 94.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 1.3 p -95.07 176.68 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.09 173.09 8.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -56.17 -26.32 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.96 28.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 105.82 5.0 39.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -77.07 143.7 70.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 136.61 33.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -105.62 -14.0 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 106.32 -24.11 26.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.43 127.01 33.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 844' ' ' ALA . . . . . 0.546 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -139.04 137.44 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.403 ' CE2' ' OG ' ' A' ' 876' ' ' SER . 11.8 m-85 -108.53 142.66 38.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.11 151.14 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.5 109.69 9.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.52 -179.74 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' A' ' 849' ' ' GLU . 6.6 tm-20 -89.26 -48.17 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -108.82 164.85 12.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.87 -45.39 24.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 40.5 t -52.37 -53.26 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -50.11 -50.36 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -56.54 -50.11 72.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.9 t -49.66 -58.28 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.47 -55.03 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -52.66 -30.78 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.813 ' CG2' HD22 ' A' ' 803' ' ' LEU . 91.3 t -74.41 -40.05 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.72 -31.25 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -84.12 -55.99 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.793 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.3 mmm -57.45 -45.19 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -41.58 109.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 70.44 46.96 45.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 866' ' ' ILE . 6.8 ptm -106.99 154.93 20.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.1 m -92.0 134.79 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.633 HD11 ' SD ' ' A' ' 864' ' ' MET . 71.2 mt -148.71 108.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt 63.1 33.46 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 72.3 46.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -158.77 109.36 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 870' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.8 mp -66.34 108.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.782 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -93.22 139.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -104.0 142.03 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.793 HG21 ' CB ' ' A' ' 861' ' ' MET . 58.2 t -119.49 156.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.466 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -158.09 150.6 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.697 ' CD1' HG21 ' A' ' 858' ' ' VAL . 42.1 mm -70.72 116.98 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.403 ' OG ' ' CE2' ' A' ' 845' ' ' TYR . 2.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.37 149.52 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.801 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.0 mt -125.94 155.9 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.509 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 86.5 t80 -125.24 125.5 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.734 ' CG2' HD13 ' A' ' 871' ' ' ILE . 4.8 mt -122.41 132.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 4.5 t -127.27 167.17 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 807' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 69.84 40.47 75.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.85 HD23 HG21 ' A' ' 871' ' ' ILE . 94.0 mt -97.14 142.3 24.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -37.56 -35.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.6 m -53.39 -52.25 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.26 153.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 3.3 t -139.21 164.97 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.482 ' HB2' HD11 ' A' ' 832' ' ' LEU . 6.3 tmtt? -46.57 -55.48 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -46.35 -57.58 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 816' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 31.7 mt-10 -47.74 -59.36 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.67 HD23 HD21 ' A' ' 830' ' ' LEU . 13.6 tp -54.58 -38.2 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.13 -60.23 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.1 pt-20 -53.1 -39.25 63.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 820' ' ' ILE . . . . . 0.498 HG22 ' CE ' ' A' ' 861' ' ' MET . 80.3 mt -70.84 -36.66 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 67.6 m -68.22 -55.23 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -57.53 -12.44 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 823' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -68.2 -25.58 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.068 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -94.04 -59.3 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -139.07 -144.27 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 30.4 m -97.98 123.83 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.16 105.36 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.07 -50.05 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -148.88 152.18 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.67 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -144.43 132.71 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.502 ' N ' HD23 ' A' ' 830' ' ' LEU . 36.5 ttp180 -137.73 155.09 49.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 814' ' ' LYS . 14.4 mt -121.03 132.72 55.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 833' ' ' VAL . . . . . 0.472 HG12 ' HE2' ' A' ' 841' ' ' LYS . 42.6 t -72.74 106.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 76.3 p -112.72 -177.47 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -113.21 179.19 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -47.34 -24.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.28 -45.62 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 129.91 -6.77 6.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -65.38 143.3 98.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.16 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HE2' HG12 ' A' ' 833' ' ' VAL . 38.7 mtmt -80.8 -10.5 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.63 -21.26 26.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.509 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 32.8 mt -91.96 136.23 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.68 143.92 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -110.87 136.76 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.81 140.83 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -125.31 118.09 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -98.43 179.78 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -92.15 -45.69 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -120.76 162.61 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.69 -54.53 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.3 t -39.87 -60.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -48.8 -61.52 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.7 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -45.04 -59.62 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 3.4 t -39.79 -55.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -55.98 -51.99 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.73 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.801 ' CG2' HD22 ' A' ' 803' ' ' LEU . 74.8 t -73.22 -54.43 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.3 mtt -60.12 -20.83 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -92.35 -40.16 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.692 ' HB3' HG21 ' A' ' 873' ' ' VAL . 3.8 mtt -78.3 -56.78 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -36.6 117.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.7 29.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.495 ' HG2' HD11 ' A' ' 871' ' ' ILE . 23.1 ptm -108.09 153.26 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.5 m -95.55 133.79 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 91.8 mt -146.96 114.44 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt 57.67 36.7 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.6 47.81 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -156.78 110.93 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.02 113.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.85 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -100.74 143.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -105.91 154.22 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.692 HG21 ' HB3' ' A' ' 861' ' ' MET . 42.2 t -137.82 146.25 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.43 155.84 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 876' ' ' SER . 28.6 mm -61.74 117.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 875' ' ' ILE . 8.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -61.86 161.93 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 854' ' ' ALA . 8.6 mt -136.68 160.97 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 22.4 t80 -135.65 132.17 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.568 ' CG2' HD13 ' A' ' 871' ' ' ILE . 8.1 mt -125.77 149.77 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.402 ' HA ' HD23 ' A' ' 843' ' ' LEU . 78.1 p -143.84 150.5 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.96 41.84 9.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.726 HD23 HG21 ' A' ' 871' ' ' ILE . 39.5 mt -96.12 143.67 26.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 119.63 6.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -42.63 -34.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 46.4 m -54.21 -51.48 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 32.1 t -44.39 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.0 t -140.8 154.69 46.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 830' ' ' LEU . 19.2 ttpt -41.77 -57.52 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.8 -67.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.59 -66.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 818' ' ' GLU . 14.1 tp -46.1 -60.2 2.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 817' ' ' LEU . 29.0 tt0 -37.96 -60.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -48.33 -53.32 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.14 -38.67 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' CYS . . . . . 0.442 ' HB2' HG21 ' A' ' 827' ' ' VAL . 72.4 m -69.99 -35.05 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.06 -23.16 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.92 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -66.48 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.37 -144.8 4.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 93.5 m -99.87 122.69 43.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 111.134 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 821' ' ' CYS . 74.6 t -92.2 110.13 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -73.48 -50.65 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -150.18 160.62 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 831' ' ' ARG . 3.5 tt -146.18 131.08 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.482 ' N ' HD23 ' A' ' 830' ' ' LEU . 52.7 ttp180 -131.05 150.72 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 814' ' ' LYS . 17.7 mt -119.45 130.57 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 833' ' ' VAL . . . . . 0.474 HG12 ' HE3' ' A' ' 841' ' ' LYS . 82.6 t -71.15 117.05 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 35.9 p -120.96 -179.79 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.07 178.79 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -48.46 -21.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.98 -45.1 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.24 6.24 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -59.74 143.28 87.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.474 ' HE3' HG12 ' A' ' 833' ' ' VAL . 5.2 mtmp? -77.18 -9.24 58.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.33 -30.15 8.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.421 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 26.1 mt -80.71 148.3 30.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -154.71 151.98 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -117.55 148.17 42.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.05 144.73 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -127.09 110.97 13.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.13 174.96 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.91 -40.25 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -116.41 170.91 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -80.58 -53.18 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 16.8 t -46.59 -43.3 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -50.33 -56.32 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -50.09 -61.5 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -42.42 -54.0 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.38 -33.82 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.875 ' CG2' HD22 ' A' ' 803' ' ' LEU . 87.8 t -67.62 -40.68 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.22 -33.44 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 860' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 860' ' ' LYS . 0.6 OUTLIER -78.69 -58.34 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.808 ' CB ' HG21 ' A' ' 873' ' ' VAL . 27.4 mtt -59.75 -44.11 93.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -34.95 102.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 69.47 47.76 48.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 866' ' ' ILE . 20.8 ptm -102.97 162.82 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 6.3 m -99.38 132.87 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 864' ' ' MET . 66.3 mt -144.39 108.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 36.89 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 71.52 47.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -156.42 109.65 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 870' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 870' ' ' ILE . 1.8 mp -70.52 102.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.771 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -91.06 143.89 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -105.92 143.9 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.808 HG21 ' CB ' ' A' ' 861' ' ' MET . 25.6 t -124.86 144.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -149.11 155.74 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 19.5 mm -66.34 113.99 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 11.2 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.543 ' CD2' ' HG3' ' A' ' 802' ' ' LYS . 16.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.543 ' HG3' ' CD2' ' A' ' 801' ' ' HIS . 64.9 mttt -56.87 156.05 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.803 HD22 ' CG2' ' A' ' 858' ' ' VAL . 7.9 mt -123.76 155.74 37.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.693 ' CE1' HD22 ' A' ' 843' ' ' LEU . 21.6 t80 -128.39 110.06 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.768 ' CG2' HD13 ' A' ' 871' ' ' ILE . 3.7 mt -106.39 136.72 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 93.2 p -131.35 150.96 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 807' ' ' GLY . . . . . 0.543 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 83.68 47.83 5.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.81 HD23 HG21 ' A' ' 871' ' ' ILE . 34.2 mt -99.67 143.41 26.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.82 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -43.8 -28.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 29.7 m -63.95 -47.19 81.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 42.7 t -43.17 149.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 5.0 t -138.86 156.96 46.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.531 ' HB2' HD11 ' A' ' 832' ' ' LEU . 30.6 ttmt -42.4 -59.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -41.19 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -38.11 -63.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 830' ' ' LEU . 14.2 tp -46.05 -53.35 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -47.74 -58.01 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -54.15 -37.41 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 820' ' ' ILE . . . . . 0.452 HG22 ' CE ' ' A' ' 861' ' ' MET . 60.6 mt -71.45 -32.57 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 91.8 m -75.14 -60.21 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -20.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.14 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -86.78 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -141.91 -150.52 5.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 99.6 m -100.69 117.58 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.36 101.26 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -64.61 -44.54 90.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -154.63 145.01 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 817' ' ' LEU . 2.7 tt -135.26 127.39 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.459 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 6.8 ptp85 -130.67 146.84 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 814' ' ' LYS . 39.9 mt -114.63 125.72 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.75 139.5 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -148.16 -175.87 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.426 ' ND2' ' HD3' ' A' ' 841' ' ' LYS . 27.8 m-20 -114.02 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -49.0 -36.38 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.97 25.01 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.47 32.61 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -89.42 140.84 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.83 3.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.426 ' HD3' ' ND2' ' A' ' 835' ' ' ASN . 5.3 mtmp? -88.67 13.5 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.62 7.95 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.693 HD22 ' CE1' ' A' ' 804' ' ' PHE . 36.2 mt -112.03 139.47 47.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.2 152.21 44.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.9 m-85 -120.81 138.65 53.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.72 150.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -134.51 113.86 12.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -98.31 178.7 4.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -48.57 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -120.73 -179.61 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.02 -52.83 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 3.1 t -38.22 -58.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.55 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.756 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -40.0 -44.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 45.0 t -57.57 -58.09 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.24 -54.66 12.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.13 54.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.803 ' CG2' HD22 ' A' ' 803' ' ' LEU . 72.5 t -70.72 -42.52 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.98 -24.0 67.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -93.47 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.865 ' CB ' HG21 ' A' ' 873' ' ' VAL . 17.5 mtt -56.92 -52.44 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 5.7 t0 -35.7 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.03 47.19 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 866' ' ' ILE . 25.6 ptm -110.86 148.8 31.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.3 m -91.76 126.79 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 864' ' ' MET . 90.5 mt -134.81 107.65 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 43.8 mttm 59.68 48.13 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 63.08 38.59 10.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -150.68 111.69 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.5 mt -74.68 119.09 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.81 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -107.7 146.97 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 872' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 805' ' ' ILE . 51.1 tttp -108.13 151.72 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.865 HG21 ' CB ' ' A' ' 861' ' ' MET . 15.4 t -132.56 140.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.28 144.93 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 19.8 mm -56.01 119.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -72.07 154.66 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.803 HD21 ' HB1' ' A' ' 854' ' ' ALA . 14.1 mt -126.53 146.7 50.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.53 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 49.9 t80 -120.2 111.8 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 871' ' ' ILE . 3.7 mt -109.73 144.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.445 ' HB3' ' CD2' ' A' ' 843' ' ' LEU . 95.7 p -146.68 154.3 41.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.14 54.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 871' ' ' ILE . 46.0 mt -80.26 142.76 55.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.85 52.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.8 -38.73 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 22.9 m -53.47 -50.24 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.7 152.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.444 HG22 ' OE1' ' A' ' 816' ' ' GLU . 9.7 t -157.46 173.16 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.423 ' HG3' HD22 ' A' ' 830' ' ' LEU . 76.3 tttt -41.31 -58.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -39.02 -62.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 816' ' ' GLU . . . . . 0.444 ' OE1' HG22 ' A' ' 813' ' ' THR . 1.5 mp0 -55.15 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 830' ' ' LEU . 11.6 tp -37.17 -62.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -43.77 -56.48 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -56.33 -30.54 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 55.2 mt -83.02 -25.36 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.65 -55.12 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -14.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.99 88.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -83.46 -49.08 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -145.72 -136.95 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.4 m -111.48 133.3 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 99.7 t -98.04 105.0 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' LYS . . . . . 0.422 ' HD2' ' CD ' ' A' ' 849' ' ' GLU . 6.0 mmpt? -74.11 -44.43 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -151.08 148.53 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.2 tt -142.09 132.12 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.572 ' N ' HD23 ' A' ' 830' ' ' LEU . 26.3 ttt85 -136.0 148.48 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.71 125.71 51.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.25 90.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 33.1 p -103.99 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -92.83 -176.93 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -47.8 -39.94 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.09 33.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 43.5 35.34 2.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -87.47 143.58 34.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -93.53 -7.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.28 -19.25 49.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.53 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 84.0 mt -90.25 149.18 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.4 151.3 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -121.37 137.23 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 20.7 t -120.85 150.84 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -134.0 102.67 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -86.05 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 849' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 828' ' ' LYS . 7.0 tp10 -91.72 -39.47 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -124.71 161.54 26.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.02 -45.45 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 t -42.83 -60.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -49.14 -62.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.803 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -39.95 -47.91 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.6 t -59.1 -60.14 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -50.65 -55.7 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -47.86 -40.18 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.773 ' CG2' HD22 ' A' ' 803' ' ' LEU . 42.1 t -72.23 -52.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -55.76 -16.83 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -103.52 -34.6 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.665 ' HB3' HG21 ' A' ' 873' ' ' VAL . 4.9 mtt -78.73 -54.44 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 861' ' ' MET . 9.0 p-10 -35.05 106.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.39 43.34 8.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 22.1 ptm -109.22 153.29 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -90.93 134.24 34.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 76.7 mt -146.38 105.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 66.45 36.16 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 70.72 42.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -155.09 114.11 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.0 mm -70.92 110.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.874 HG21 HD23 ' A' ' 808' ' ' LEU . 0.9 OUTLIER -98.29 144.54 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -104.86 154.09 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.665 HG21 ' HB3' ' A' ' 861' ' ' MET . 25.3 t -134.51 149.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.75 158.73 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.0 mm -68.38 115.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 875' ' ' ILE . 3.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.562 ' O ' HD23 ' A' ' 803' ' ' LEU . 17.2 mtmt -61.85 174.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 854' ' ' ALA . 10.4 mt -140.83 148.31 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.87 ' CE1' HD22 ' A' ' 843' ' ' LEU . 12.4 t80 -122.53 108.17 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.599 ' CG2' HD13 ' A' ' 871' ' ' ILE . 2.8 mt -102.99 141.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.407 ' HA ' HD23 ' A' ' 843' ' ' LEU . 33.1 t -137.54 164.3 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 72.78 44.41 38.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.991 HD23 HG21 ' A' ' 871' ' ' ILE . 23.6 mt -106.91 142.3 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.49 14.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -40.33 -33.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 20.5 m -52.82 -54.17 38.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.1 t -44.89 155.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 1.7 t -139.13 171.51 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.81 ' HG2' HD22 ' A' ' 830' ' ' LEU . 1.4 tmmt? -56.24 -54.73 41.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -43.1 -66.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.74 -58.83 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 817' ' ' LEU . 13.1 tp -49.41 -62.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 830' ' ' LEU . 11.7 tm-20 -40.96 -59.98 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -46.85 -38.97 11.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 50.6 mt -74.27 -28.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.64 -55.86 5.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -52.08 -30.67 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.14 -33.12 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.02 -52.56 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.46 -148.39 4.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 81.4 m -97.69 122.55 40.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.2 t -88.42 101.56 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 828' ' ' LYS . 0.0 OUTLIER -68.96 -43.11 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -163.74 148.34 10.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 814' ' ' LYS . 4.2 tt -133.78 132.41 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.501 ' N ' HD23 ' A' ' 830' ' ' LEU . 1.4 ptm85 -134.81 148.95 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 814' ' ' LYS . 78.3 mt -108.95 150.8 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 12.9 t -105.78 84.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -100.89 -178.75 3.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 837' ' ' ALA . 3.5 p-10 -96.71 -176.21 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -49.24 -38.28 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 835' ' ' ASN . . . -93.96 34.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 44.0 42.6 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.05 143.78 26.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.06 17.38 23.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 68.22 21.69 74.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.87 HD22 ' CE1' ' A' ' 804' ' ' PHE . 25.3 mt -127.37 137.23 52.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -142.42 156.57 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 8.3 m-85 -128.2 130.97 48.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.7 148.24 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -128.31 119.98 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -106.15 176.59 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.97 -50.48 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -108.55 175.11 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.02 -37.58 17.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 33.5 t -56.91 -49.13 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.96 -55.14 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -51.96 -52.16 52.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.7 t -48.51 -60.26 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -45.74 -55.41 6.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.97 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.765 ' CG2' HD22 ' A' ' 803' ' ' LEU . 55.6 t -74.19 -37.96 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.09 -31.23 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -85.32 -60.62 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.645 ' CB ' HG21 ' A' ' 873' ' ' VAL . 36.3 mtt -53.21 -43.25 67.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 8.5 t0 -46.53 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.49 40.83 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.447 ' HE1' HD11 ' A' ' 866' ' ' ILE . 22.7 ptm -103.41 144.13 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.1 m -84.36 126.89 33.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.66 HD12 HG12 ' A' ' 871' ' ' ILE . 51.6 mt -135.07 119.02 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 49.72 45.33 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 63.71 49.28 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -162.16 112.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.18 115.23 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.991 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -104.66 139.72 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -105.23 156.09 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.645 HG21 ' CB ' ' A' ' 861' ' ' MET . 30.6 t -129.98 138.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.5 ' HB3' ' HD2' ' A' ' 804' ' ' PHE . . . -138.81 135.29 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.53 HD13 HG21 ' A' ' 858' ' ' VAL . 30.7 mm -56.8 119.43 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 46.4 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 54.8 mttt -46.25 159.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 1.046 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.3 mt -138.29 157.67 45.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.729 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 1.2 t80 -132.54 135.87 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.536 ' CG2' HD13 ' A' ' 871' ' ' ILE . 6.8 mt -130.16 132.61 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 98.6 p -128.5 151.63 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.02 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.927 HD23 HG21 ' A' ' 871' ' ' ILE . 27.1 mt -97.25 143.38 26.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.97 11.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -40.53 -34.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -52.82 59.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.22 159.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.0 t -147.81 165.96 28.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.464 ' N ' HD11 ' A' ' 832' ' ' LEU . 0.2 OUTLIER -47.13 -53.48 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -45.44 -64.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -44.63 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 817' ' ' LEU . 12.5 tp -43.53 -62.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -43.68 -53.11 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -52.05 -39.49 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 40.3 mt -75.87 -29.43 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 827' ' ' VAL . 62.1 m -70.37 -52.48 22.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 822' ' ' LYS . . . . . 0.407 ' HA ' HG23 ' A' ' 827' ' ' VAL . 37.1 pttt -57.85 -13.49 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.15 -31.24 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -84.27 -41.27 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -159.45 -133.8 1.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 56.0 m -111.72 114.34 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 111.181 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 821' ' ' CYS . 59.6 t -79.31 110.44 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 828' ' ' LYS . . . . . 0.409 ' CB ' ' OE1' ' A' ' 847' ' ' GLU . 28.1 mmmt -80.53 -45.57 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -158.39 142.32 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.8 tt -136.53 137.21 40.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.739 ' N ' HD23 ' A' ' 830' ' ' LEU . 10.7 ptp180 -138.35 147.63 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 814' ' ' LYS . 93.4 mt -111.55 143.93 41.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.1 t -90.49 128.09 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 34.7 p -120.28 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 837' ' ' ALA . 1.8 p30 -117.92 176.97 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -50.51 -18.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.404 ' HB3' ' OD1' ' A' ' 835' ' ' ASN . . . -90.12 -46.85 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 133.83 -36.43 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -51.13 158.29 1.29 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.15 5.51 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -72.92 -11.37 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.19 -38.88 3.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.729 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 28.3 mt -69.96 136.43 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -135.52 138.23 42.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.478 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -110.45 141.4 43.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 846' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 847' ' ' GLU . 67.2 t -129.24 153.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 846' ' ' VAL . 3.4 tm-20 -138.54 108.49 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -90.33 -175.98 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.63 -47.87 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 43.0 p30 -122.56 -177.51 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.85 -44.13 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 8.1 t -47.02 -63.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.2 -52.59 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 1.046 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -48.92 -61.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -44.32 -61.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -44.63 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.64 78.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.631 ' CG2' HD22 ' A' ' 803' ' ' LEU . 55.2 t -65.38 -48.25 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 21.0 mmm -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -71.42 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.519 ' CB ' HG21 ' A' ' 873' ' ' VAL . 16.2 mtp -54.27 -34.22 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -49.79 114.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.56 61.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.437 ' HG2' HD11 ' A' ' 871' ' ' ILE . 19.3 ptm -107.04 162.73 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.355 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.2 m -95.34 137.1 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.485 HD12 HG12 ' A' ' 871' ' ' ILE . 95.5 mt -150.43 108.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 59.6 42.51 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 66.02 48.32 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -161.75 114.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 870' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.2 mm -73.07 108.02 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.927 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -92.63 151.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -114.37 148.91 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 861' ' ' MET . 92.6 t -119.58 158.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -159.56 146.18 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 23.4 mm -59.61 126.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 847' ' ' GLU . 39.8 p-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -79.16 153.95 29.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.824 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.5 mt -131.42 146.43 52.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.431 ' CE2' HD22 ' A' ' 843' ' ' LEU . 1.4 t80 -119.42 127.39 53.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.636 HG21 HD21 ' A' ' 808' ' ' LEU . 2.7 mt -121.13 146.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 9.7 t -146.05 161.33 40.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 76.66 22.4 72.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.642 HD23 HG21 ' A' ' 871' ' ' ILE . 40.7 mt -81.64 142.39 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 125.81 12.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -44.96 -29.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 26.2 t -55.26 -51.93 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 25.4 t -51.73 161.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 814' ' ' LYS . 12.0 t -145.65 163.87 33.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.405 ' N ' HD11 ' A' ' 832' ' ' LEU . 15.2 tttm -37.52 -53.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 815' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 818' ' ' GLU . 36.1 mt-10 -49.94 -71.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.08 -58.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 817' ' ' LEU . 6.0 tp -58.34 -29.13 65.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' GLU . 10.2 tm-20 -72.1 -59.53 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -49.75 -39.83 38.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 820' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 70.9 mt -68.33 -46.24 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 62.2 m -57.17 -56.95 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 822' ' ' LYS . . . . . 0.44 ' HA ' HG23 ' A' ' 827' ' ' VAL . 0.1 OUTLIER -52.35 -17.97 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 823' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -58.99 -40.14 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -76.77 -60.97 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -135.73 -133.46 3.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 19.3 m -110.55 123.24 49.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 822' ' ' LYS . 72.3 t -91.23 103.91 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -71.67 -54.58 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -144.35 148.09 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.8 tt -139.24 128.32 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.491 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.7 ptp180 -133.29 151.25 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 814' ' ' LYS . 37.8 mt -114.1 126.09 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 95.1 t -77.01 100.22 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 22.9 p -111.45 -175.79 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.0 p-10 -100.7 -178.63 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -45.36 -39.69 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.36 30.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 45.44 33.56 4.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -86.42 143.19 36.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.16 10.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.81 -7.73 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.29 -23.6 31.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.431 HD22 ' CE2' ' A' ' 804' ' ' PHE . 48.4 mt -81.39 144.68 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -147.12 150.98 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.5 m-85 -120.67 142.91 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 846' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 847' ' ' GLU . 44.2 t -129.71 153.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 801' ' ' HIS . 0.0 OUTLIER -138.25 112.18 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.08 170.89 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -84.62 -50.34 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -105.41 157.36 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -72.58 -48.21 41.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 m -45.17 -52.85 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.817 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.56 -49.78 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 23.2 t -52.78 -58.65 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.73 -56.81 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.81 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.824 ' CG2' HD22 ' A' ' 803' ' ' LEU . 99.9 t -72.88 -49.65 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.8 mtp -55.91 -16.93 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.92 -49.53 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.515 ' HB3' HG21 ' A' ' 873' ' ' VAL . 7.8 mtt -65.54 -49.61 68.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.3 p-10 -34.52 108.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.06 48.48 20.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 28.6 ptm -108.56 147.92 31.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.1 m -87.15 132.17 33.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 82.6 mt -142.87 109.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? 58.7 41.7 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 67.05 39.94 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -151.29 106.19 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -68.36 115.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.791 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.21 145.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -111.13 141.44 44.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 861' ' ' MET . 25.1 t -121.45 152.73 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.04 145.53 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.34 121.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.445 ' N ' ' HD1' ' A' ' 801' ' ' HIS . 2.8 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -61.83 145.78 51.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' A' ' 858' ' ' VAL . 14.8 mt -117.31 151.66 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -122.38 110.51 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.748 HG23 HG22 ' A' ' 873' ' ' VAL . 4.5 mt -109.0 136.52 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 78.0 p -140.28 155.69 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.48 -3.79 66.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.692 HD23 HG21 ' A' ' 871' ' ' ILE . 35.6 mt -61.72 143.45 93.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 164.75 33.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -75.77 -19.09 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 58.8 m -72.76 -41.06 65.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.2 154.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -142.07 158.07 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 815' ' ' GLU . 20.8 ttmt -39.2 -64.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 815' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 814' ' ' LYS . 43.9 mt-10 -36.0 -65.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -43.25 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 817' ' ' LEU . 11.3 tp -42.19 -49.78 4.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -52.42 -58.45 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -49.56 -45.34 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 33.9 mt -68.9 -25.84 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.57 -56.59 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -55.82 -15.58 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.13 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -87.49 -56.8 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 825' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 853' ' ' GLN . . . -137.72 -134.64 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 85.9 m -115.28 119.33 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.79 115.0 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.55 -36.78 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.04 145.08 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 3.0 tt -140.25 128.9 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 9.8 ptp180 -131.89 147.6 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 92.3 mt -113.59 146.23 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 16.8 t -91.21 133.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 30.9 p -136.53 -178.21 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.569 ' OD1' ' HB3' ' A' ' 837' ' ' ALA . 3.5 p30 -119.6 -176.77 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.81 -14.18 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.569 ' HB3' ' OD1' ' A' ' 835' ' ' ASN . . . -92.23 -36.71 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 113.47 -25.28 11.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -60.37 143.94 88.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.8 18.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.386 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -91.33 -4.51 55.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 107.84 -38.48 3.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.53 139.99 57.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.7 157.2 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.448 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.5 m-85 -128.12 139.89 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 846' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 847' ' ' GLU . 26.2 t -129.87 158.2 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 846' ' ' VAL . 13.4 tt0 -139.6 118.61 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 848' ' ' TYR . . . . . 0.422 ' CE1' HD11 ' A' ' 803' ' ' LEU . 13.3 m-85 -95.63 -175.15 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -101.96 -37.51 8.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.82 172.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -83.8 -46.23 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.4 t -56.06 -50.15 71.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 853' ' ' GLN . . . . . 0.426 ' OE1' ' CA ' ' A' ' 825' ' ' GLY . 33.0 mt-30 -50.68 -55.25 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.551 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -53.23 -55.96 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.9 t -45.7 -58.78 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -51.65 -52.03 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -48.68 -40.75 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.592 ' CG2' HD22 ' A' ' 803' ' ' LEU . 46.8 t -67.85 -45.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.6 -18.02 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.764 ' HB3' HG21 ' A' ' 873' ' ' VAL . 5.1 mtt -82.16 -56.02 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 1.7 p-10 -34.42 113.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 75.26 44.04 23.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.553 ' CE ' HD11 ' A' ' 866' ' ' ILE . 28.3 ptm -108.09 154.09 22.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 865' ' ' THR . . . . . 0.4 ' C ' HG13 ' A' ' 866' ' ' ILE . 7.5 m -97.43 135.23 39.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.553 HD11 ' CE ' ' A' ' 864' ' ' MET . 60.3 mt -144.08 121.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt 49.53 38.65 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 69.7 49.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -161.66 111.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -72.64 117.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.754 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.2 pp -109.03 148.65 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -107.48 160.04 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 861' ' ' MET . 30.7 t -138.4 156.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.444 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -162.15 154.72 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 876' ' ' SER . 34.1 mm -58.31 124.29 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 875' ' ' ILE . 14.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 39.5 p-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 3.5 mtpm? -57.88 161.53 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.678 HD22 HG22 ' A' ' 858' ' ' VAL . 19.9 mt -130.65 151.3 51.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.51 ' O ' ' CD2' ' A' ' 804' ' ' PHE . 16.1 t80 -126.57 98.41 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 871' ' ' ILE . 5.0 mt -95.65 142.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.467 ' CB ' HD23 ' A' ' 843' ' ' LEU . 81.3 p -143.3 150.61 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.5 14.7 55.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.952 HD23 HG21 ' A' ' 871' ' ' ILE . 70.0 mt -75.26 141.77 74.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.76 31.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.42 -36.34 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 73.3 m -51.71 -50.87 59.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 18.6 t -51.96 159.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -142.95 165.11 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.609 ' HB2' HD11 ' A' ' 832' ' ' LEU . 17.7 ttmt -38.39 -58.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -44.39 -67.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -39.64 -64.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.1 tp -47.2 -57.4 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -46.86 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -43.03 -40.2 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 820' ' ' ILE . . . . . 0.566 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 64.7 mt -72.17 -42.63 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.37 -56.83 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.23 -17.74 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -83.38 -57.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -137.67 -130.49 2.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 826' ' ' THR . . . . . 0.438 ' N ' ' OE1' ' A' ' 853' ' ' GLN . 58.7 m -120.16 123.12 42.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.93 108.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.06 -37.66 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -165.67 140.27 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.5 tt -126.08 133.2 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.512 ' N ' HD23 ' A' ' 830' ' ' LEU . 2.9 tpm_? -129.5 147.0 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 814' ' ' LYS . 15.6 mt -115.61 124.85 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.2 100.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.9 p -112.62 165.06 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.31 -174.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 -60.18 -10.15 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -95.83 2.26 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 62.21 27.52 69.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -110.8 143.9 29.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.8 8.51 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.75 2.3 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 15.53 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 90.54 -32.11 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 806' ' ' SER . 23.3 mt -79.31 139.59 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.12 33.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -118.3 137.24 53.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.61 142.61 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -124.58 124.97 43.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.89 -177.61 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.17 -47.86 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -123.68 -175.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -45.04 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 9.6 t -42.58 -57.36 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 853' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 826' ' ' THR . 34.0 mt-30 -53.47 -59.03 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -43.29 -47.67 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.1 t -56.21 -57.51 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 856' ' ' GLN . . . . . 0.439 ' C ' ' OE1' ' A' ' 856' ' ' GLN . 1.3 tm0? -50.44 -56.58 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -50.75 -34.79 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 854' ' ' ALA . 98.5 t -71.65 -42.79 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.8 mtt -65.33 -22.01 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 860' ' ' LYS . . . . . 0.4 ' HA ' ' CE ' ' A' ' 860' ' ' LYS . 0.0 OUTLIER -94.27 -60.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.856 ' CB ' HG21 ' A' ' 873' ' ' VAL . 7.0 mtt -55.99 -55.14 36.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 9.7 t70 -34.54 98.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.21 45.87 6.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.494 ' CE ' HD11 ' A' ' 866' ' ' ILE . 17.0 ptm -110.29 146.07 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.41 138.19 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.494 HD11 ' CE ' ' A' ' 864' ' ' MET . 81.5 mt -147.55 110.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 55.35 45.31 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 64.59 45.42 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -158.0 110.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.41 120.69 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.952 HG21 HD23 ' A' ' 808' ' ' LEU . 1.2 pp -109.18 143.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -105.81 154.07 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.856 HG21 ' CB ' ' A' ' 861' ' ' MET . 39.8 t -131.06 134.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -134.18 147.31 50.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.697 ' CD1' HG21 ' A' ' 858' ' ' VAL . 13.2 mm -67.8 105.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 11.4 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.401 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 50.6 mttt -62.65 148.94 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.974 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.7 mt -117.51 157.7 25.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.436 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 55.7 t80 -136.79 116.83 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.758 ' CG2' HD13 ' A' ' 871' ' ' ILE . 11.5 mt -111.71 144.25 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 3.3 p -137.6 150.44 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 807' ' ' GLY . . . . . 0.52 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 85.5 42.17 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 871' ' ' ILE . 69.9 mt -97.78 144.05 27.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.19 27.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -50.76 -26.93 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.0 m -63.01 -50.92 68.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 33.6 t -41.41 162.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.8 t -158.37 157.83 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 815' ' ' GLU . 2.2 tppt? -35.76 -65.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 815' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 814' ' ' LYS . 22.0 mt-10 -34.59 -63.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -49.69 -66.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.438 HD23 HD21 ' A' ' 830' ' ' LEU . 10.3 tp -46.71 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 817' ' ' LEU . 5.1 tt0 -37.37 -50.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -53.98 -42.96 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 820' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 73.5 mt -69.57 -34.37 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.69 -59.26 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -13.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 823' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -69.62 -36.3 76.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -83.63 -54.0 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -146.9 -150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.9 m -90.52 133.64 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 64.6 t -102.92 109.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -80.41 -44.05 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -154.35 152.79 30.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.438 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -148.53 125.34 11.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.494 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 12.7 ptm180 -129.47 148.36 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 834' ' ' THR . 26.5 mt -119.12 120.02 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 833' ' ' VAL . . . . . 0.472 HG12 ' HD3' ' A' ' 841' ' ' LYS . 39.0 t -61.98 92.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 834' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 832' ' ' LEU . 50.3 p -94.17 -176.05 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -108.9 -179.12 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.9 mtm-85 -53.63 -29.38 37.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.09 -28.08 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 120.56 -8.06 11.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 143.84 84.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.65 8.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HD3' HG12 ' A' ' 833' ' ' VAL . 49.5 mtpt -84.23 -15.95 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.85 7.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.436 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 15.2 mt -82.38 124.99 30.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -126.96 132.85 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.3 m-85 -106.61 137.6 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 846' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 847' ' ' GLU . 47.5 t -122.6 154.43 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 846' ' ' VAL . 3.4 tt0 -137.43 110.21 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -92.1 -178.23 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.63 -34.27 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.75 152.6 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.85 -55.61 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 52.2 m -38.96 -58.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -47.7 -63.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.974 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -43.29 -53.35 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -46.72 -62.94 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -50.76 -56.17 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 861' ' ' MET . . . -46.77 -34.01 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.677 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -76.06 -49.14 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 56.0 mmm -57.48 -19.52 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -101.23 -44.72 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.648 ' CB ' HG21 ' A' ' 873' ' ' VAL . 2.4 mmt -68.94 -51.84 35.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 862' ' ' ASP . 0.9 OUTLIER -40.5 114.26 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.48 45.62 36.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 866' ' ' ILE . 20.9 ptm -107.63 154.64 21.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.8 m -95.86 118.66 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.516 HD11 ' SD ' ' A' ' 864' ' ' MET . 86.4 mt -125.63 109.63 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.97 37.13 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 72.23 45.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -154.59 105.38 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 870' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.9 mp -65.78 107.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.812 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -98.66 146.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 872' ' ' LYS . . . . . 0.653 ' NZ ' ' HB2' ' A' ' 874' ' ' ALA . 21.8 tttm -106.68 147.52 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.648 HG21 ' CB ' ' A' ' 861' ' ' MET . 59.2 t -123.68 149.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.653 ' HB2' ' NZ ' ' A' ' 872' ' ' LYS . . . -155.27 146.59 22.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 49.4 mm -60.21 115.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.6 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 33.2 p-80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.352 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 48.0 mttt -54.38 160.85 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.895 HD22 ' CG2' ' A' ' 858' ' ' VAL . 11.5 mt -133.99 150.46 51.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.791 ' CE1' HD22 ' A' ' 843' ' ' LEU . 14.3 t80 -122.11 101.78 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 871' ' ' ILE . 2.5 mt -95.86 138.06 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 7.5 t -138.94 160.25 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.7 -10.84 73.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.71 141.6 13.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -53.46 -27.5 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.5 t -71.39 -37.92 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 17.1 t -39.51 141.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.596 HG22 ' CG ' ' A' ' 816' ' ' GLU . 6.1 t -128.11 154.3 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -44.93 -58.64 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.75 -61.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 816' ' ' GLU . . . . . 0.596 ' CG ' HG22 ' A' ' 813' ' ' THR . 30.4 mm-40 -40.8 -65.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.457 HD23 HD21 ' A' ' 830' ' ' LEU . 12.2 tp -48.88 -57.32 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -41.79 -56.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.74 -43.1 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 820' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 84.2 mt -67.8 -36.22 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 30.8 m -68.53 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -52.75 -17.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 823' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -69.14 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -88.89 -51.3 5.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.7 6.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 826' ' ' THR . . . . . 0.493 HG22 ' CE ' ' A' ' 828' ' ' LYS . 66.4 m -93.29 116.39 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.148 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.52 117.76 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' LYS . . . . . 0.493 ' CE ' HG22 ' A' ' 826' ' ' THR . 6.4 mmpt? -88.72 -40.71 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -160.39 145.57 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.457 HD21 HD23 ' A' ' 817' ' ' LEU . 2.5 tt -135.82 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 831' ' ' ARG . 0.0 OUTLIER -122.13 149.61 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 65.9 mt -113.37 133.75 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 833' ' ' VAL . . . . . 0.449 ' HB ' ' CB ' ' A' ' 843' ' ' LEU . 72.1 t -89.92 104.74 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 16.1 p -113.98 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.71 -179.78 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -48.79 -37.2 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -97.03 36.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.73 24.23 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -78.58 143.75 64.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 121.58 8.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.286 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.07 9.87 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 69.68 25.59 75.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.791 HD22 ' CE1' ' A' ' 804' ' ' PHE . 33.2 mt -128.4 144.15 51.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.89 141.8 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -107.6 145.01 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 81.3 t -124.66 150.14 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.69 114.59 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -98.07 177.18 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.86 -43.06 9.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -120.52 160.54 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.1 -60.41 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 75.0 m -38.31 -50.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -53.8 -52.97 58.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.752 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -50.73 -60.58 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 855' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 858' ' ' VAL . 7.6 t -44.37 -61.85 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -41.26 -52.48 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.895 ' CG2' HD22 ' A' ' 803' ' ' LEU . 98.6 t -71.19 -46.16 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 12.0 mtp -64.64 -51.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.48 -60.65 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.725 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.7 mtp -58.4 -44.74 89.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.8 OUTLIER -35.7 110.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.37 50.07 40.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 21.0 ptm -110.28 152.38 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 5.8 m -89.57 134.45 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.666 HD12 HG12 ' A' ' 871' ' ' ILE . 49.0 mt -141.4 109.64 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 55.28 40.27 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 71.44 40.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -149.59 112.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 870' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.9 mp -72.07 106.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.794 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -97.55 151.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 872' ' ' LYS . . . . . 0.467 ' N ' HD12 ' A' ' 871' ' ' ILE . 19.0 ttmm -116.02 148.23 40.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.725 HG21 ' CB ' ' A' ' 861' ' ' MET . 78.5 t -123.08 119.06 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -120.38 154.81 34.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.76 124.75 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 876' ' ' SER . 32.2 mmtt -67.81 152.73 45.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.725 HD22 HG22 ' A' ' 858' ' ' VAL . 13.7 mt -124.97 153.2 43.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.724 ' CE1' HD22 ' A' ' 843' ' ' LEU . 13.8 t80 -129.2 109.15 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.4 HD12 HD21 ' A' ' 817' ' ' LEU . 4.2 mt -103.85 135.49 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 91.9 p -134.19 160.14 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.06 76.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.765 HD23 HG21 ' A' ' 871' ' ' ILE . 40.8 mt -55.64 142.7 61.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -97.83 -38.88 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 811' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 812' ' ' CYS . 16.0 m -56.22 -47.73 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 812' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 811' ' ' SER . 4.0 t -35.17 152.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 816' ' ' GLU . 5.2 t -145.46 156.59 43.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -41.94 -62.03 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.55 -60.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 816' ' ' GLU . . . . . 0.424 ' H ' HG23 ' A' ' 813' ' ' THR . 55.1 mm-40 -43.25 -71.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.4 HD21 HD12 ' A' ' 805' ' ' ILE . 12.5 tp -44.97 -57.97 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.468 ' HB2' HD13 ' A' ' 830' ' ' LEU . 4.9 tm-20 -42.68 -49.73 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.37 -38.18 76.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.94 -32.75 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 40.5 m -71.06 -54.86 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 822' ' ' LYS . . . . . 0.604 ' HA ' HG23 ' A' ' 827' ' ' VAL . 0.0 OUTLIER -55.57 -16.79 4.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.73 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -76.69 -52.14 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.47 -157.38 7.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 90.1 m -83.64 122.66 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 822' ' ' LYS . 94.0 t -91.3 113.95 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -82.21 -49.67 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -151.65 157.8 42.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 818' ' ' GLU . 2.8 tt -147.56 125.42 11.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -127.92 151.99 48.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 844' ' ' ALA . 67.6 mt -118.53 126.47 52.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 833' ' ' VAL . . . . . 0.495 HG12 ' HD3' ' A' ' 841' ' ' LYS . 41.6 t -77.6 127.98 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 7.4 p -131.88 -177.4 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -101.51 -179.71 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -48.34 -31.54 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -100.49 33.12 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 49.95 29.17 13.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -86.99 143.57 35.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.495 ' HD3' HG12 ' A' ' 833' ' ' VAL . 33.5 mtpt -100.07 -11.53 20.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.01 13.94 41.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.724 HD22 ' CE1' ' A' ' 804' ' ' PHE . 41.2 mt -123.18 139.36 54.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 844' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -148.39 154.73 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.15 138.34 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 28.8 t -123.41 142.42 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -122.82 124.38 43.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.94 -179.8 4.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -85.27 -42.72 14.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -129.34 -179.19 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -81.57 -51.27 8.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 37.0 t -38.63 -59.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -50.0 -56.75 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -45.84 -59.18 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -43.6 -57.47 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.48 -54.2 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.37 -34.21 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.725 HG22 HD22 ' A' ' 803' ' ' LEU . 59.2 t -73.08 -46.85 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.3 mmt -61.49 -23.21 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -91.88 -61.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.548 ' CB ' HG21 ' A' ' 873' ' ' VAL . 29.0 mtt -52.79 -35.79 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.575 ' HA ' HG23 ' A' ' 873' ' ' VAL . 3.2 t70 -51.56 122.6 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.48 92.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.565 ' HG2' HD11 ' A' ' 871' ' ' ILE . 23.5 ptm -109.57 146.81 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.7 m -89.53 129.92 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.448 HD12 HG12 ' A' ' 871' ' ' ILE . 96.4 mt -137.06 111.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp 58.36 36.9 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 72.26 48.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -158.8 107.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 870' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.3 mm -67.24 106.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.765 HG21 HD23 ' A' ' 808' ' ' LEU . 1.3 pp -96.75 149.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -111.9 156.84 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' A' ' 862' ' ' ASP . 11.9 t -126.24 149.13 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.03 142.68 22.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 876' ' ' SER . 47.3 mm -57.11 118.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.423 ' HB3' ' C ' ' A' ' 802' ' ' LYS . 3.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.506 ' N ' ' HD1' ' A' ' 801' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -62.81 165.32 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 858' ' ' VAL . 33.2 mt -134.63 145.87 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.529 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 42.1 t80 -121.85 104.82 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.543 HG23 HG22 ' A' ' 873' ' ' VAL . 3.8 mt -101.92 138.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.529 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 1.7 m -137.29 144.66 42.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 807' ' ' GLY . . . . . 0.412 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 91.93 40.66 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.82 HD23 HG21 ' A' ' 871' ' ' ILE . 48.1 mt -101.87 144.11 27.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.12 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -47.52 -35.47 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 31.7 m -54.28 -50.79 66.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.24 151.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.9 t -138.18 157.53 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.3 OUTLIER -36.13 -64.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 815' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 818' ' ' GLU . 79.0 mm-40 -36.16 -68.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 816' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 13.7 mt-10 -37.41 -62.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.433 HD21 HD12 ' A' ' 805' ' ' ILE . 11.7 tp -56.91 -31.24 64.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 815' ' ' GLU . 19.4 tt0 -63.97 -57.59 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.4 pt-20 -55.0 -38.91 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 820' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 98.7 mt -70.19 -45.13 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 821' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' A' ' 861' ' ' MET . 98.3 m -61.76 -55.26 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 822' ' ' LYS . . . . . 0.493 ' HA ' HG23 ' A' ' 827' ' ' VAL . 23.7 pttt -53.48 -16.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -66.08 -46.38 77.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -66.16 -52.97 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -142.24 -126.3 2.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 88.7 m -123.59 114.42 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 822' ' ' LYS . 92.7 t -77.96 120.03 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -94.87 -38.34 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -157.43 145.22 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' A' ' 846' ' ' VAL . 2.4 tt -139.61 128.3 23.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.0 ptp180 -131.34 153.08 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 38.7 mt -118.0 123.49 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.01 90.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.1 p -93.99 173.6 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.3 t-20 -94.01 173.2 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -38.84 -46.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.9 37.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 47.18 40.02 13.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.53 145.75 30.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.18 14.22 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -110.62 -8.23 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.83 -38.83 2.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.452 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 51.0 mt -68.22 138.96 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.17 145.69 36.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.48 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -117.46 133.47 55.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 846' ' ' VAL . . . . . 0.409 HG22 ' HG ' ' A' ' 830' ' ' LEU . 59.1 t -123.23 151.54 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.52 112.49 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -93.68 172.66 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.37 -49.24 8.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -109.46 171.72 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 852' ' ' SER . 16.2 pt-20 -83.13 -47.27 11.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 852' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 55.7 m -46.39 -51.77 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.59 -58.32 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -44.85 -54.45 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 47.3 t -48.54 -64.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -44.93 -53.47 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -54.23 -41.0 68.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 803' ' ' LEU . 59.0 t -57.71 -45.98 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -58.19 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -57.65 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.777 ' CB ' HG21 ' A' ' 873' ' ' VAL . 31.1 mtt -63.23 -45.85 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -39.67 96.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 863' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 861' ' ' MET . . . 82.42 44.82 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 19.7 ptm -106.66 147.11 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 865' ' ' THR . . . . . 0.4 ' C ' HG13 ' A' ' 866' ' ' ILE . 1.1 m -83.15 141.85 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 865' ' ' THR . 92.2 mt -151.62 107.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 867' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 816' ' ' GLU . 24.1 mtmm 59.37 35.44 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.42 44.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -155.95 112.79 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.71 114.72 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.82 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -102.45 149.96 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 872' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 66.1 tttt -114.87 153.15 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.777 HG21 ' CB ' ' A' ' 861' ' ' MET . 24.0 t -132.5 131.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -129.8 147.04 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.595 HD13 HG21 ' A' ' 858' ' ' VAL . 36.8 mm -59.56 114.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.2 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -56.69 179.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 854' ' ' ALA . 14.2 mt -146.68 153.59 40.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.59 ' CE2' HD22 ' A' ' 843' ' ' LEU . 3.1 t80 -127.7 134.06 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 872' ' ' LYS . 10.0 mt -132.98 146.81 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.7 p -138.53 155.76 48.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 807' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 78.88 55.93 3.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.603 HD23 HG21 ' A' ' 871' ' ' ILE . 42.7 mt -110.91 143.14 27.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 809' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 810' ' ' PHE . 53.5 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 810' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 809' ' ' PRO . 22.6 m-85 -36.96 -35.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 40.8 m -57.27 -50.81 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 38.8 t -41.14 150.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 11.3 t -138.02 159.09 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 815' ' ' GLU . 36.9 ttmt -44.06 -63.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 815' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 814' ' ' LYS . 17.4 mt-10 -35.41 -66.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -40.8 -72.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 818' ' ' GLU . 12.0 tp -46.4 -63.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 817' ' ' LEU . 28.4 tt0 -35.67 -54.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.86 -54.29 44.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 37.3 mt -54.99 -33.95 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 87.4 m -66.55 -44.98 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.23 -35.71 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.55 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 824' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 93.5 m-70 -75.27 -56.84 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.9 -155.56 6.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 23.8 m -93.39 118.54 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.84 112.03 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -79.83 -35.73 37.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -168.67 156.45 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 831' ' ' ARG . 3.4 tt -143.92 134.0 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.518 ' N ' HD23 ' A' ' 830' ' ' LEU . 4.1 ptp180 -131.27 150.1 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 85.8 mt -118.02 144.62 45.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 833' ' ' VAL . . . . . 0.45 HG12 ' HG3' ' A' ' 841' ' ' LYS . 60.5 t -88.5 115.25 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 71.3 p -112.48 -176.94 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 838' ' ' GLY . 62.8 t30 -122.02 174.23 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -44.03 -41.0 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.4 ' O ' ' CE ' ' A' ' 839' ' ' LYS . . . -90.0 31.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 52.34 23.2 12.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 839' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 837' ' ' ALA . 6.6 mmpt? -85.64 141.32 36.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 114.14 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.45 ' HG3' HG12 ' A' ' 833' ' ' VAL . 2.6 mmmm -71.41 -18.36 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.43 -31.38 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.59 HD22 ' CE2' ' A' ' 804' ' ' PHE . 23.0 mt -70.86 155.39 40.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -150.21 128.32 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.5 m-85 -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.78 150.42 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -128.73 112.39 14.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.25 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -89.27 -45.49 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -117.27 141.48 48.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.89 -44.53 78.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 19.3 m -48.72 -57.39 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -49.97 -48.69 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -55.23 -44.71 75.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 14.7 t -55.29 -61.04 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.87 -57.13 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.407 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -45.8 -39.47 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.863 ' CG2' HD22 ' A' ' 803' ' ' LEU . 89.3 t -69.82 -53.41 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 23.4 mtm -51.67 -23.18 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -93.44 -46.77 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 862' ' ' ASP . 7.7 mtt -69.93 -57.02 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -34.41 114.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.88 45.13 34.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.495 ' HG2' HD11 ' A' ' 871' ' ' ILE . 27.1 ptm -109.12 167.56 10.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.2 m -106.36 131.72 53.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 86.8 mt -143.1 106.57 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp 62.87 40.3 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 67.3 44.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -153.18 109.66 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 870' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 870' ' ' ILE . 7.8 mm -69.16 110.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.764 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.1 pp -96.6 146.1 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 872' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 805' ' ' ILE . 21.9 tttp -110.01 150.08 29.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.664 ' CG1' HG13 ' A' ' 858' ' ' VAL . 74.9 t -126.87 148.33 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -155.19 137.52 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.36 121.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.47 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 3.4 p-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.47 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 15.1 mtpt -80.34 151.74 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.774 HD21 ' HB1' ' A' ' 854' ' ' ALA . 11.6 mt -124.29 159.1 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.422 ' O ' ' CD1' ' A' ' 804' ' ' PHE . 2.4 t80 -128.97 114.0 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.519 HG12 HG13 ' A' ' 873' ' ' VAL . 5.2 mt -108.49 150.1 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 90.6 p -148.7 156.35 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.15 32.32 32.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.799 HD23 HG21 ' A' ' 871' ' ' ILE . 75.8 mt -91.22 143.17 27.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 141.73 46.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.54 -22.05 64.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 4.0 t -64.59 -48.2 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.35 170.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.5 t -148.92 170.3 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -47.96 -58.06 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 816' ' ' GLU . 49.6 mt-10 -40.83 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 816' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 38.1 mm-40 -36.46 -58.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.609 HD23 HD21 ' A' ' 830' ' ' LEU . 7.3 tp -54.14 -41.77 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 815' ' ' GLU . 1.2 tp10 -60.46 -60.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 819' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.2 pt-20 -51.83 -46.4 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.21 -31.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 96.6 m -78.93 -36.7 41.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.18 -26.97 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -67.79 -45.68 74.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -66.26 -49.28 67.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -165.57 -153.98 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 52.4 m -87.49 129.53 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.184 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.93 116.72 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -84.79 -44.56 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -161.4 145.8 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.609 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -137.26 129.05 28.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 24.0 ptt180 -135.84 152.63 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.24 144.36 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.6 t -87.11 133.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.5 p -133.29 -177.98 4.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -110.74 -176.29 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -56.11 -38.91 71.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.99 25.26 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 56.35 30.37 58.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.07 141.4 29.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 130.19 18.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -97.38 -18.63 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.68 -11.39 56.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.61 151.15 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.38 24.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.457 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.8 m-85 -105.94 125.77 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.0 150.75 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -137.54 106.66 6.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -88.74 -178.98 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.0 -38.82 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -120.63 159.26 25.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 852' ' ' SER . 14.2 pt-20 -71.14 -44.24 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 852' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 70.8 m -48.75 -59.04 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -47.42 -58.61 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.774 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.64 -53.9 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 32.5 t -49.25 -59.68 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -49.72 -52.08 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.9 -32.04 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.719 ' CG2' HD22 ' A' ' 803' ' ' LEU . 86.3 t -72.93 -42.69 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.19 -23.84 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -90.02 -57.38 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.738 ' CB ' HG21 ' A' ' 873' ' ' VAL . 11.2 mmm -60.15 -51.92 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 30.4 t70 -37.71 105.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.532 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 871' ' ' ILE . 16.8 ptm -108.61 152.06 25.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -94.63 133.15 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 83.4 mt -140.02 107.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 57.82 41.59 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 69.23 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -150.38 105.72 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.66 112.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.799 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -102.12 142.96 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -103.73 155.99 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.738 HG21 ' CB ' ' A' ' 861' ' ' MET . 5.2 t -139.67 144.36 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.54 151.75 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.1 130.67 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 801' ' ' HIS . . . . . 0.542 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 22.0 p-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 802' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 33.4 mtpt -69.35 159.12 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 1.049 HD21 ' HB1' ' A' ' 854' ' ' ALA . 9.6 mt -133.85 165.52 24.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 3.7 t80 -137.76 136.61 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.668 ' CG2' HD13 ' A' ' 871' ' ' ILE . 8.2 mt -133.06 138.55 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 87.8 p -135.84 161.0 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 77.46 36.89 32.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.945 HD23 HG21 ' A' ' 871' ' ' ILE . 40.9 mt -97.36 143.91 27.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.953 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.36 17.38 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -44.0 -35.29 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 89.7 p -53.44 -51.05 63.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 1.9 t -39.82 156.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 814' ' ' LYS . 14.7 t -149.09 158.86 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.0 OUTLIER -35.68 -65.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 815' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 816' ' ' GLU . 3.7 mp0 -36.52 -71.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 816' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 815' ' ' GLU . 38.3 mm-40 -36.04 -67.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.538 HD23 HD21 ' A' ' 830' ' ' LEU . 10.4 tp -47.22 -61.18 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.88 -54.04 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.99 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.4 -29.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 92.9 m -81.02 -60.43 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 822' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 822' ' ' LYS . 0.0 OUTLIER -44.43 -28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.93 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.57 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 826' ' ' THR . . . . . 0.516 ' O ' ' CD2' ' A' ' 848' ' ' TYR . 99.5 m -96.23 131.87 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 822' ' ' LYS . 89.8 t -100.1 104.26 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -70.07 -42.22 73.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -162.19 147.26 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.538 HD21 HD23 ' A' ' 817' ' ' LEU . 2.4 tt -136.24 127.87 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 8.7 ptp85 -128.76 145.47 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 814' ' ' LYS . 43.2 mt -119.64 123.28 43.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 833' ' ' VAL . . . . . 0.467 HG12 ' HD3' ' A' ' 841' ' ' LYS . 89.8 t -67.37 111.37 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 32.2 p -105.87 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -109.57 -175.02 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -58.63 -35.19 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 11.26 21.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 73.27 32.13 60.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -101.51 142.11 23.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.467 ' HD3' HG12 ' A' ' 833' ' ' VAL . 26.8 mtpp -76.85 -16.33 59.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 118.77 -42.51 1.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 62.6 mt -65.91 136.76 56.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.32 128.51 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 845' ' ' TYR . . . . . 0.493 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.8 m-85 -102.65 137.73 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 28.2 t -126.85 145.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.62 111.21 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 848' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' THR . 16.7 m-85 -92.25 -176.57 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -95.02 -43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.83 149.99 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.21 -52.94 62.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 78.6 p -44.78 -57.43 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -48.17 -48.32 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 1.049 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -61.49 -51.91 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 46.3 t -45.94 -54.32 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.59 -52.87 62.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.75 24.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.687 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -73.23 -49.23 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 41.2 mtm -58.52 -26.94 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -89.76 -60.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.692 ' CB ' HG21 ' A' ' 873' ' ' VAL . 36.3 mmm -55.23 -45.09 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 14.8 t70 -43.47 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 67.58 49.1 52.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.4 ' SD ' HD11 ' A' ' 866' ' ' ILE . 23.1 ptm -108.76 166.59 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 4.0 m -99.2 135.7 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.516 HD12 HG12 ' A' ' 871' ' ' ILE . 96.2 mt -149.37 111.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 60.34 38.55 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.0 46.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -157.92 116.5 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 8.8 mm -71.14 115.05 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.945 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -103.69 145.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -106.03 145.76 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.692 HG21 ' CB ' ' A' ' 861' ' ' MET . 54.7 t -127.84 143.18 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -147.6 148.58 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.555 HD13 HG21 ' A' ' 858' ' ' VAL . 47.7 mm -61.43 126.82 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -79.93 166.59 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 1.027 HD21 ' HB1' ' A' ' 854' ' ' ALA . 9.5 mt -137.31 164.21 29.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.518 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 74.7 t80 -136.2 128.05 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 871' ' ' ILE . 7.9 mt -124.96 134.75 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.518 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 5.0 m -135.37 151.29 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.27 33.17 18.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 871' ' ' ILE . 30.7 mt -92.98 143.19 26.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.07 16.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.24 -45.27 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 66.6 m -39.06 -51.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.1 170.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 8.9 t -158.43 176.49 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -50.2 -44.05 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.95 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -50.7 -56.82 10.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.34 -65.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 818' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 818' ' ' GLU . 0.0 OUTLIER -38.29 -44.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -57.75 -59.26 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 57.6 mt -47.76 -39.37 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' CYS . . . . . 0.442 ' CB ' HG21 ' A' ' 827' ' ' VAL . 89.1 m -62.52 -49.61 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -50.25 -35.55 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.21 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 824' ' ' HIS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 81.7 m-70 -70.08 -58.21 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.41 -147.35 4.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 826' ' ' THR . . . . . 0.458 HG21 ' OE1' ' A' ' 849' ' ' GLU . 99.8 m -98.82 128.37 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.442 HG21 ' CB ' ' A' ' 821' ' ' CYS . 51.2 t -101.85 111.94 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -73.89 -38.59 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -169.82 144.74 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 831' ' ' ARG . 5.5 tt -118.65 139.21 51.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 831' ' ' ARG . . . . . 0.642 ' N ' HD23 ' A' ' 830' ' ' LEU . 18.4 mmt180 -122.88 138.02 54.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.558 HD23 ' HB1' ' A' ' 844' ' ' ALA . 23.7 mt -120.31 122.65 41.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.16 114.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 80.6 p -121.16 172.86 7.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 838' ' ' GLY . 5.9 p-10 -94.61 175.22 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -40.07 -42.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.02 34.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 41.64 45.57 4.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -96.88 142.52 24.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.22 5.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -103.85 -1.95 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.25 2.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.87 132.55 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 844' ' ' ALA . . . . . 0.558 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -155.23 145.9 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -108.76 155.84 20.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.79 143.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -125.63 105.94 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -89.31 178.67 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 849' ' ' GLU . . . . . 0.458 ' OE1' HG21 ' A' ' 826' ' ' THR . 24.7 tt0 -73.86 -49.62 24.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -125.91 -175.63 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -78.98 -44.0 23.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 17.1 t -43.74 -64.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -44.28 -55.56 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 1.027 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.29 -53.93 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 7.7 t -51.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -47.67 -57.04 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 857' ' ' ALA . . . . . 0.451 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -52.44 -33.01 42.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 854' ' ' ALA . 69.6 t -72.3 -45.37 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 38.2 mtp -60.6 -29.29 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 860' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 824' ' ' HIS . 6.7 mmmm -88.25 -55.62 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.674 ' HB3' HG21 ' A' ' 873' ' ' VAL . 6.2 mmt -58.73 -46.33 87.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 7.4 t70 -43.21 112.16 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 65.01 49.85 60.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.0 ptm -110.59 156.01 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 130.27 42.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.407 HD12 HG12 ' A' ' 871' ' ' ILE . 97.1 mt -136.68 111.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 30.9 mttm 53.07 40.76 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 71.97 46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -156.67 114.97 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 870' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.2 mm -76.65 105.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -95.4 144.85 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -106.37 148.33 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.674 HG21 ' HB3' ' A' ' 861' ' ' MET . 64.5 t -134.44 148.5 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -160.24 155.25 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.2 mm -56.64 123.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -53.96 162.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 803' ' ' LEU . . . . . 0.825 HD22 ' CG2' ' A' ' 858' ' ' VAL . 8.6 mt -137.67 143.13 41.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 804' ' ' PHE . . . . . 0.768 ' CE1' HD22 ' A' ' 843' ' ' LEU . 13.0 t80 -113.89 117.42 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.645 HG12 HG13 ' A' ' 873' ' ' VAL . 2.1 mt -113.72 148.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 806' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 843' ' ' LEU . 64.5 p -149.48 156.73 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 86.4 27.56 29.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 871' ' ' ILE . 33.6 mt -89.49 143.89 31.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.88 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.254 . . . . 0.0 112.352 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -47.14 -41.44 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.9 m -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 51.1 t -53.19 149.41 7.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 813' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.87 170.38 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 814' ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' ' 832' ' ' LEU . 0.7 OUTLIER -53.43 -57.14 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -43.64 -58.99 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.82 -44.69 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 817' ' ' LEU . . . . . 0.577 HD23 HD21 ' A' ' 830' ' ' LEU . 11.9 tp -70.01 -35.21 74.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.73 -60.41 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -40.55 92.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 89.9 mt -66.24 -25.8 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 821' ' ' CYS . . . . . 0.436 ' HG ' ' HG ' ' A' ' 817' ' ' LEU . 75.8 m -87.88 -24.68 23.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -63.26 -41.44 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.2 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -61.99 -55.23 31.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.14 8.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 94.7 m -85.31 130.61 34.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 111.145 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 76.5 t -97.3 105.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -75.73 -39.29 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -163.21 158.98 22.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 830' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 817' ' ' LEU . 2.4 tt -147.96 125.4 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -128.77 147.95 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 814' ' ' LYS . 11.9 mt -115.52 125.21 52.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.56 82.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.4 p -90.57 179.62 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 838' ' ' GLY . 4.0 p-10 -96.36 175.61 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -40.36 -42.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 34.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 838' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 42.52 41.46 4.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -94.0 144.11 27.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.81 4.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -100.05 -6.13 26.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.53 -34.32 5.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' LEU . . . . . 0.768 HD22 ' CE1' ' A' ' 804' ' ' PHE . 31.2 mt -72.11 148.18 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -155.43 143.58 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -114.59 137.45 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.27 149.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -133.54 100.21 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -82.49 -176.85 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -91.26 -43.81 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -122.75 170.66 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.92 -40.83 60.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 18.3 m -50.02 -56.94 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.22 -52.64 51.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 854' ' ' ALA . . . . . 0.874 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -48.2 -47.59 35.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.0 t -57.2 -55.6 32.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.34 35.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 858' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 854' ' ' ALA . 24.6 t -73.96 -47.41 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 29.9 mmm -60.08 -17.19 37.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -101.5 -43.43 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 861' ' ' MET . . . . . 0.698 ' HB3' HG21 ' A' ' 873' ' ' VAL . 6.5 mtt -71.72 -50.67 28.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.0 p-10 -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.02 47.4 24.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 864' ' ' MET . . . . . 0.517 ' SD ' HD11 ' A' ' 866' ' ' ILE . 24.0 ptm -103.44 155.57 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.5 m -97.39 129.38 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 866' ' ' ILE . . . . . 0.517 HD11 ' SD ' ' A' ' 864' ' ' MET . 73.7 mt -138.37 105.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.23 48.62 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 63.27 48.33 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.58 113.09 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.4 mm -76.84 115.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.831 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -103.83 144.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -112.2 140.98 46.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 873' ' ' VAL . . . . . 0.698 HG21 ' HB3' ' A' ' 861' ' ' MET . 6.1 t -119.43 165.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.522 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -160.1 153.72 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 875' ' ' ILE . . . . . 0.474 HD13 HG21 ' A' ' 858' ' ' VAL . 49.5 mm -74.04 115.72 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 876' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 98.2 p -66.48 173.26 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 9.0 m -134.74 103.12 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -86.48 108.76 3.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 2.4 t -66.56 -47.36 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 3.1 m -65.0 109.17 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.01 147.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 91.3 t -134.72 141.83 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -134.07 173.25 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -101.82 114.54 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -123.1 -46.78 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 8.4 t -127.64 142.46 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 4.7 t -37.74 155.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.8 m -52.22 131.26 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.833 ' C ' HD12 ' A' ' 798' ' ' LEU . 1.0 OUTLIER -98.07 149.22 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -98.75 142.51 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -43.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -48.56 -44.36 36.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.45 149.02 10.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 1.062 HD21 ' HB1' ' A' ' 854' ' ' ALA . 7.1 mt -127.45 150.17 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.625 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 56.3 t80 -123.77 128.33 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.677 ' CG2' HD13 ' A' ' 871' ' ' ILE . 5.4 mt -125.3 122.54 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 89.4 p -119.08 158.66 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 807' ' ' GLY . . . . . 0.673 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 78.56 50.4 6.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.935 HD23 HG21 ' A' ' 871' ' ' ILE . 30.6 mt -110.91 144.04 29.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -43.66 -37.61 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 812' ' ' CYS . 21.2 t -54.08 -46.67 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 812' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 811' ' ' SER . 45.6 t -37.71 142.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 816' ' ' GLU . 12.9 t -125.79 155.19 41.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.455 ' CA ' HD11 ' A' ' 832' ' ' LEU . 11.9 tttp -46.76 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 814' ' ' LYS . 34.8 mt-10 -35.53 -57.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.503 ' H ' HG23 ' A' ' 813' ' ' THR . 27.6 mt-10 -43.56 -62.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 817' ' ' LEU . 11.4 tp -57.08 -36.27 70.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.38 -57.85 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.3 pt-20 -56.19 -38.32 70.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 820' ' ' ILE . . . . . 0.405 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 64.4 mt -71.93 -33.26 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 65.2 m -69.47 -51.27 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -61.52 -10.17 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -71.7 -24.21 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -95.22 -48.67 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.09 -154.1 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 96.4 m -84.86 124.57 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.59 101.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 828' ' ' LYS . 2.8 mmmp? -66.46 -47.26 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -161.96 153.16 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 831' ' ' ARG . 2.6 tt -139.58 131.53 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.462 ' N ' HD23 ' A' ' 830' ' ' LEU . 10.4 tpp180 -135.27 143.51 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.455 HD11 ' CA ' ' A' ' 814' ' ' LYS . 12.7 mt -115.14 119.59 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.439 HG12 ' HD3' ' A' ' 841' ' ' LYS . 59.8 t -61.75 106.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 25.8 p -104.05 170.14 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 839' ' ' LYS . 51.4 t30 -96.75 177.79 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -58.21 -29.55 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.4 -3.3 57.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 91.15 17.71 49.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 835' ' ' ASN . 5.3 mmmm -91.55 143.68 28.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.439 ' HD3' HG12 ' A' ' 833' ' ' VAL . 28.6 mtpp -77.49 -3.98 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.18 -27.28 20.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.625 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 23.6 mt -81.82 143.09 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.0 23.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -108.06 147.42 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.94 151.08 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -131.25 123.04 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.1 172.53 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -88.11 -42.03 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -111.57 -179.09 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -95.4 -44.66 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 27.3 t -56.57 -41.39 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.8 -54.1 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 1.062 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -54.96 -45.83 74.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.1 t -51.64 -53.51 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.09 -51.76 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -56.68 -33.69 66.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.741 ' CG2' HD22 ' A' ' 803' ' ' LEU . 96.1 t -72.12 -38.49 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 2.2 mtp -67.8 -29.03 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -89.44 -57.95 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.585 ' CB ' HG21 ' A' ' 873' ' ' VAL . 27.9 mtt -55.46 -35.86 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 6.8 t70 -52.24 112.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.68 48.84 47.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.3 ptm -110.58 149.39 30.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.0 m -90.51 129.03 36.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.05 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 57.25 34.91 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 74.5 48.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -158.16 114.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -70.95 111.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.935 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -102.83 145.2 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 872' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 35.7 tttp -111.59 149.34 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 861' ' ' MET . 25.6 t -115.7 157.91 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.473 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -159.9 129.95 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.636 ' CD1' HG21 ' A' ' 858' ' ' VAL . 30.8 mm -61.82 115.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 2.6 m -58.85 83.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 875' ' ' ILE . 48.1 t30 -100.58 -51.89 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 47.4 m -69.82 129.59 39.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -149.74 -90.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 102.11 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 40.6 t -65.06 110.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 -60.67 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 37.2 p -99.65 83.74 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 58.7 m -138.98 119.86 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -172.91 124.52 1.07 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.4 t -115.43 128.26 55.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 11.7 t -49.52 126.95 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 119.09 88.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.39 119.7 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.71 122.5 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -132.46 87.79 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -117.34 137.55 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 55.3 p -84.48 101.79 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 24.3 p -90.19 165.28 14.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.7 p -134.67 44.39 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.495 HD13 ' OD1' ' A' ' 877' ' ' ASN . 6.9 mt -130.63 166.0 21.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 799' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 801' ' ' HIS . 9.5 mt-10 -100.0 52.17 0.91 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 800' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 801' ' ' HIS . 21.9 tttt -42.89 -54.12 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 799' ' ' GLU . 52.0 p-80 -36.39 -40.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.466 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 37.9 mttp -61.81 150.61 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.7 mt -122.27 149.1 44.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -123.91 118.51 27.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 871' ' ' ILE . 2.8 mt -113.48 151.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 25.1 p -148.38 154.08 39.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.04 16.1 65.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.733 HD23 HG21 ' A' ' 871' ' ' ILE . 36.0 mt -74.65 142.81 77.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.17 18.88 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -46.34 -44.34 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 7.7 t -43.82 -51.8 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.6 154.6 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -141.61 -178.81 5.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.453 ' HG3' HD22 ' A' ' 830' ' ' LEU . 8.4 ttmm -54.89 -47.37 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.8 -60.27 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.66 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 818' ' ' GLU . 13.7 tp -44.99 -64.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 817' ' ' LEU . 40.3 tt0 -35.64 -57.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.71 -59.35 3.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 98.2 mt -48.04 -36.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 99.4 m -71.11 -36.6 72.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -61.19 -21.1 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.95 -41.94 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -70.18 -39.44 75.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -173.23 -150.99 7.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 40.8 m -93.95 126.29 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.52 106.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.44 -48.39 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.89 156.93 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.453 HD22 ' HG3' ' A' ' 814' ' ' LYS . 4.6 tt -145.35 129.04 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.417 ' N ' HD23 ' A' ' 830' ' ' LEU . 20.4 ttt180 -132.75 140.31 48.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.546 HD23 ' HB1' ' A' ' 844' ' ' ALA . 15.9 mt -115.84 137.23 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.02 94.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 1.3 p -95.07 176.68 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.09 173.09 8.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -56.17 -26.32 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.96 28.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 105.82 5.0 39.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -77.07 143.7 70.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 136.61 33.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -105.62 -14.0 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 106.32 -24.11 26.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.43 127.01 33.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.546 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -139.04 137.44 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.403 ' CE2' ' OG ' ' A' ' 876' ' ' SER . 11.8 m-85 -108.53 142.66 38.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.11 151.14 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.5 109.69 9.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.52 -179.74 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' GLU . . . . . 0.4 ' C ' ' CD ' ' A' ' 849' ' ' GLU . 6.6 tm-20 -89.26 -48.17 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -108.82 164.85 12.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.87 -45.39 24.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 40.5 t -52.37 -53.26 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -50.11 -50.36 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -56.54 -50.11 72.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.9 t -49.66 -58.28 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.47 -55.03 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -52.66 -30.78 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.813 ' CG2' HD22 ' A' ' 803' ' ' LEU . 91.3 t -74.41 -40.05 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.72 -31.25 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -84.12 -55.99 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.793 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.3 mmm -57.45 -45.19 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -41.58 109.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 70.44 46.96 45.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 866' ' ' ILE . 6.8 ptm -106.99 154.93 20.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.1 m -92.0 134.79 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.633 HD11 ' SD ' ' A' ' 864' ' ' MET . 71.2 mt -148.71 108.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt 63.1 33.46 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 72.3 46.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -158.77 109.36 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 870' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.8 mp -66.34 108.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.782 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -93.22 139.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -104.0 142.03 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.793 HG21 ' CB ' ' A' ' 861' ' ' MET . 58.2 t -119.49 156.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.466 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -158.09 150.6 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.697 ' CD1' HG21 ' A' ' 858' ' ' VAL . 42.1 mm -70.72 116.98 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.403 ' OG ' ' CE2' ' A' ' 845' ' ' TYR . 2.2 m -54.47 98.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 877' ' ' ASN . . . . . 0.495 ' OD1' HD13 ' A' ' 798' ' ' LEU . 1.0 OUTLIER -161.52 126.82 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 23.0 t -122.1 95.97 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -134.96 -158.11 8.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 119.8 6.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -159.73 121.36 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 46.2 p -119.43 -51.05 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 97.0 p -51.17 121.52 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.4 t -72.01 152.13 42.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 128.6 41.21 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 3.3 t -90.84 122.32 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 31.8 t -85.14 116.2 23.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -172.53 88.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.7 40.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -52.09 -49.1 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -128.83 153.39 47.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -117.28 93.52 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 51.5 m -90.97 -65.48 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 9.9 t -131.51 146.85 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.1 m -76.77 133.7 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.44 154.61 38.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.58 69.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.14 51.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -110.99 -45.57 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.37 149.52 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.801 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.0 mt -125.94 155.9 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.509 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 86.5 t80 -125.24 125.5 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.734 ' CG2' HD13 ' A' ' 871' ' ' ILE . 4.8 mt -122.41 132.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 4.5 t -127.27 167.17 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 69.84 40.47 75.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.85 HD23 HG21 ' A' ' 871' ' ' ILE . 94.0 mt -97.14 142.3 24.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -37.56 -35.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.6 m -53.39 -52.25 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.26 153.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 3.3 t -139.21 164.97 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.482 ' HB2' HD11 ' A' ' 832' ' ' LEU . 6.3 tmtt? -46.57 -55.48 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -46.35 -57.58 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 31.7 mt-10 -47.74 -59.36 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.67 HD23 HD21 ' A' ' 830' ' ' LEU . 13.6 tp -54.58 -38.2 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.13 -60.23 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.1 pt-20 -53.1 -39.25 63.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' ILE . . . . . 0.498 HG22 ' CE ' ' A' ' 861' ' ' MET . 80.3 mt -70.84 -36.66 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 67.6 m -68.22 -55.23 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -57.53 -12.44 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -68.2 -25.58 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.068 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -94.04 -59.3 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -139.07 -144.27 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 30.4 m -97.98 123.83 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.16 105.36 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.07 -50.05 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -148.88 152.18 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.67 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -144.43 132.71 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.502 ' N ' HD23 ' A' ' 830' ' ' LEU . 36.5 ttp180 -137.73 155.09 49.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 814' ' ' LYS . 14.4 mt -121.03 132.72 55.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.472 HG12 ' HE2' ' A' ' 841' ' ' LYS . 42.6 t -72.74 106.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 76.3 p -112.72 -177.47 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -113.21 179.19 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -47.34 -24.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.28 -45.62 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 129.91 -6.77 6.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -65.38 143.3 98.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.16 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HE2' HG12 ' A' ' 833' ' ' VAL . 38.7 mtmt -80.8 -10.5 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.63 -21.26 26.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.509 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 32.8 mt -91.96 136.23 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.68 143.92 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -110.87 136.76 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.81 140.83 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -125.31 118.09 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -98.43 179.78 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -92.15 -45.69 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -120.76 162.61 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.69 -54.53 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.3 t -39.87 -60.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -48.8 -61.52 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.7 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -45.04 -59.62 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 3.4 t -39.79 -55.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -55.98 -51.99 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.73 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.801 ' CG2' HD22 ' A' ' 803' ' ' LEU . 74.8 t -73.22 -54.43 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.3 mtt -60.12 -20.83 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -92.35 -40.16 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.692 ' HB3' HG21 ' A' ' 873' ' ' VAL . 3.8 mtt -78.3 -56.78 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -36.6 117.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.7 29.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.495 ' HG2' HD11 ' A' ' 871' ' ' ILE . 23.1 ptm -108.09 153.26 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.5 m -95.55 133.79 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 91.8 mt -146.96 114.44 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt 57.67 36.7 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.6 47.81 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -156.78 110.93 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.02 113.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.85 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -100.74 143.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -105.91 154.22 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.692 HG21 ' HB3' ' A' ' 861' ' ' MET . 42.2 t -137.82 146.25 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.43 155.84 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 876' ' ' SER . 28.6 mm -61.74 117.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 875' ' ' ILE . 8.3 p -35.01 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.62 38.96 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 10.1 t -39.47 120.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -113.49 146.44 18.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 164.28 35.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.246 . . . . 0.0 112.291 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 1.9 m -104.93 -56.67 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 1.1 t 52.67 41.26 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 18.8 m -131.57 128.0 38.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 31.1 t -49.79 110.47 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 110.95 -127.44 8.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 24.8 m -137.5 141.75 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 5.3 t -50.51 125.44 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 89.86 -66.11 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.98 112.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -85.8 -50.16 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -83.39 141.93 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.92 -48.72 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 65.7 m -136.98 137.22 39.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 4.3 t -75.35 -0.56 20.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 797' ' ' SER . . . . . 0.403 ' C ' HD13 ' A' ' 798' ' ' LEU . 17.0 m -130.14 131.85 45.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -128.02 15.27 6.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -75.49 72.75 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.54 26.82 9.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -78.06 -45.5 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -61.86 161.93 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 854' ' ' ALA . 8.6 mt -136.68 160.97 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 22.4 t80 -135.65 132.17 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.568 ' CG2' HD13 ' A' ' 871' ' ' ILE . 8.1 mt -125.77 149.77 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.402 ' HA ' HD23 ' A' ' 843' ' ' LEU . 78.1 p -143.84 150.5 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.96 41.84 9.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.726 HD23 HG21 ' A' ' 871' ' ' ILE . 39.5 mt -96.12 143.67 26.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 119.63 6.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -42.63 -34.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 46.4 m -54.21 -51.48 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 32.1 t -44.39 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.0 t -140.8 154.69 46.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 830' ' ' LEU . 19.2 ttpt -41.77 -57.52 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.8 -67.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.59 -66.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 818' ' ' GLU . 14.1 tp -46.1 -60.2 2.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 817' ' ' LEU . 29.0 tt0 -37.96 -60.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -48.33 -53.32 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.14 -38.67 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' CYS . . . . . 0.442 ' HB2' HG21 ' A' ' 827' ' ' VAL . 72.4 m -69.99 -35.05 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.06 -23.16 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.92 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -66.48 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.37 -144.8 4.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 93.5 m -99.87 122.69 43.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 111.134 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 821' ' ' CYS . 74.6 t -92.2 110.13 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -73.48 -50.65 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -150.18 160.62 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 831' ' ' ARG . 3.5 tt -146.18 131.08 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.482 ' N ' HD23 ' A' ' 830' ' ' LEU . 52.7 ttp180 -131.05 150.72 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 814' ' ' LYS . 17.7 mt -119.45 130.57 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.474 HG12 ' HE3' ' A' ' 841' ' ' LYS . 82.6 t -71.15 117.05 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 35.9 p -120.96 -179.79 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.07 178.79 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -48.46 -21.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.98 -45.1 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.24 6.24 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -59.74 143.28 87.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.474 ' HE3' HG12 ' A' ' 833' ' ' VAL . 5.2 mtmp? -77.18 -9.24 58.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.33 -30.15 8.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.421 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 26.1 mt -80.71 148.3 30.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -154.71 151.98 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -117.55 148.17 42.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.05 144.73 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -127.09 110.97 13.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.13 174.96 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.91 -40.25 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -116.41 170.91 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -80.58 -53.18 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 16.8 t -46.59 -43.3 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -50.33 -56.32 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -50.09 -61.5 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -42.42 -54.0 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.38 -33.82 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.875 ' CG2' HD22 ' A' ' 803' ' ' LEU . 87.8 t -67.62 -40.68 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.22 -33.44 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 860' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 860' ' ' LYS . 0.6 OUTLIER -78.69 -58.34 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.808 ' CB ' HG21 ' A' ' 873' ' ' VAL . 27.4 mtt -59.75 -44.11 93.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -34.95 102.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 69.47 47.76 48.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 866' ' ' ILE . 20.8 ptm -102.97 162.82 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 6.3 m -99.38 132.87 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 864' ' ' MET . 66.3 mt -144.39 108.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 36.89 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 71.52 47.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -156.42 109.65 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 870' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 870' ' ' ILE . 1.8 mp -70.52 102.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.771 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -91.06 143.89 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -105.92 143.9 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.808 HG21 ' CB ' ' A' ' 861' ' ' MET . 25.6 t -124.86 144.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -149.11 155.74 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 19.5 mm -66.34 113.99 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 11.2 t -35.23 142.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.15 162.84 24.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 8.1 t -95.42 179.12 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -146.11 77.65 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -39.69 6.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 m -127.92 157.93 39.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.9 t -77.8 142.47 38.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 5.0 t -133.04 126.39 31.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 63.2 p -43.58 151.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 139.24 115.34 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 8.2 t -101.53 87.55 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 71.3 m -138.82 113.19 8.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.73 7.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 96.2 t -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -126.48 148.15 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -83.85 151.75 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -46.75 -59.74 2.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 66.3 p -110.79 124.56 52.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 69.9 m -108.41 98.13 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 41.2 p -115.0 66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.0 99.3 11.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 65.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.543 ' CD2' ' HG3' ' A' ' 802' ' ' LYS . 16.3 p-80 -110.46 -52.89 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.543 ' HG3' ' CD2' ' A' ' 801' ' ' HIS . 64.9 mttt -56.87 156.05 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.803 HD22 ' CG2' ' A' ' 858' ' ' VAL . 7.9 mt -123.76 155.74 37.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.693 ' CE1' HD22 ' A' ' 843' ' ' LEU . 21.6 t80 -128.39 110.06 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.768 ' CG2' HD13 ' A' ' 871' ' ' ILE . 3.7 mt -106.39 136.72 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 93.2 p -131.35 150.96 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' GLY . . . . . 0.543 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 83.68 47.83 5.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.81 HD23 HG21 ' A' ' 871' ' ' ILE . 34.2 mt -99.67 143.41 26.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.82 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -43.8 -28.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 29.7 m -63.95 -47.19 81.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 42.7 t -43.17 149.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 5.0 t -138.86 156.96 46.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.531 ' HB2' HD11 ' A' ' 832' ' ' LEU . 30.6 ttmt -42.4 -59.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -41.19 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -38.11 -63.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 830' ' ' LEU . 14.2 tp -46.05 -53.35 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -47.74 -58.01 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -54.15 -37.41 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 820' ' ' ILE . . . . . 0.452 HG22 ' CE ' ' A' ' 861' ' ' MET . 60.6 mt -71.45 -32.57 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 91.8 m -75.14 -60.21 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -20.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.14 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -86.78 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -141.91 -150.52 5.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 99.6 m -100.69 117.58 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.36 101.26 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -64.61 -44.54 90.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -154.63 145.01 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 817' ' ' LEU . 2.7 tt -135.26 127.39 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.459 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 6.8 ptp85 -130.67 146.84 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 814' ' ' LYS . 39.9 mt -114.63 125.72 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.75 139.5 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -148.16 -175.87 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.426 ' ND2' ' HD3' ' A' ' 841' ' ' LYS . 27.8 m-20 -114.02 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -49.0 -36.38 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.97 25.01 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.47 32.61 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -89.42 140.84 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.83 3.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.426 ' HD3' ' ND2' ' A' ' 835' ' ' ASN . 5.3 mtmp? -88.67 13.5 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.62 7.95 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.693 HD22 ' CE1' ' A' ' 804' ' ' PHE . 36.2 mt -112.03 139.47 47.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.2 152.21 44.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.9 m-85 -120.81 138.65 53.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.72 150.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -134.51 113.86 12.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -98.31 178.7 4.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -48.57 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -120.73 -179.61 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.02 -52.83 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 3.1 t -38.22 -58.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.55 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.756 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -40.0 -44.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 45.0 t -57.57 -58.09 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.24 -54.66 12.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.13 54.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.803 ' CG2' HD22 ' A' ' 803' ' ' LEU . 72.5 t -70.72 -42.52 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.98 -24.0 67.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -93.47 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.865 ' CB ' HG21 ' A' ' 873' ' ' VAL . 17.5 mtt -56.92 -52.44 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 5.7 t0 -35.7 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.03 47.19 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 866' ' ' ILE . 25.6 ptm -110.86 148.8 31.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.3 m -91.76 126.79 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 864' ' ' MET . 90.5 mt -134.81 107.65 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 43.8 mttm 59.68 48.13 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 63.08 38.59 10.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -150.68 111.69 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.5 mt -74.68 119.09 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.81 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -107.7 146.97 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 872' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 805' ' ' ILE . 51.1 tttp -108.13 151.72 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.865 HG21 ' CB ' ' A' ' 861' ' ' MET . 15.4 t -132.56 140.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.28 144.93 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 19.8 mm -56.01 119.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 8.7 p -39.19 131.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -98.57 107.13 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 45.6 t -76.41 -53.76 7.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 146.63 70.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.22 7.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.635 2.224 . . . . 0.0 112.365 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 47.8 t -86.63 124.21 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 29.5 t -64.52 -56.72 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 65.7 m -56.87 111.14 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 29.0 p -144.25 158.9 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 788' ' ' SER . . . 135.75 156.89 7.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 788' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 787' ' ' GLY . 62.2 p -37.49 140.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 3.5 t -134.65 104.75 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 130.22 162.42 10.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 90.7 t -115.01 86.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -117.07 141.05 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -118.59 74.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -69.05 153.38 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 70.4 m -119.2 87.11 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 50.0 m -130.16 151.3 50.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 14.9 m -78.91 87.62 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 34.0 mt -133.65 156.34 48.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -99.05 50.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -53.49 -36.1 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -51.96 -37.15 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -72.07 154.66 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.803 HD21 ' HB1' ' A' ' 854' ' ' ALA . 14.1 mt -126.53 146.7 50.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.53 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 49.9 t80 -120.2 111.8 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 871' ' ' ILE . 3.7 mt -109.73 144.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.445 ' HB3' ' CD2' ' A' ' 843' ' ' LEU . 95.7 p -146.68 154.3 41.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.14 54.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 871' ' ' ILE . 46.0 mt -80.26 142.76 55.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.85 52.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.8 -38.73 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 22.9 m -53.47 -50.24 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.7 152.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.444 HG22 ' OE1' ' A' ' 816' ' ' GLU . 9.7 t -157.46 173.16 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.423 ' HG3' HD22 ' A' ' 830' ' ' LEU . 76.3 tttt -41.31 -58.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -39.02 -62.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.444 ' OE1' HG22 ' A' ' 813' ' ' THR . 1.5 mp0 -55.15 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 830' ' ' LEU . 11.6 tp -37.17 -62.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -43.77 -56.48 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -56.33 -30.54 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 55.2 mt -83.02 -25.36 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.65 -55.12 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -14.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.99 88.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -83.46 -49.08 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -145.72 -136.95 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.4 m -111.48 133.3 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 99.7 t -98.04 105.0 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' LYS . . . . . 0.422 ' HD2' ' CD ' ' A' ' 849' ' ' GLU . 6.0 mmpt? -74.11 -44.43 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -151.08 148.53 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.2 tt -142.09 132.12 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.572 ' N ' HD23 ' A' ' 830' ' ' LEU . 26.3 ttt85 -136.0 148.48 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.71 125.71 51.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.25 90.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 33.1 p -103.99 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -92.83 -176.93 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -47.8 -39.94 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.09 33.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 43.5 35.34 2.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -87.47 143.58 34.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -93.53 -7.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.28 -19.25 49.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.53 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 84.0 mt -90.25 149.18 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.4 151.3 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -121.37 137.23 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 20.7 t -120.85 150.84 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -134.0 102.67 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -86.05 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 828' ' ' LYS . 7.0 tp10 -91.72 -39.47 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -124.71 161.54 26.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.02 -45.45 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 t -42.83 -60.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -49.14 -62.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.803 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -39.95 -47.91 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.6 t -59.1 -60.14 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -50.65 -55.7 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -47.86 -40.18 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.773 ' CG2' HD22 ' A' ' 803' ' ' LEU . 42.1 t -72.23 -52.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -55.76 -16.83 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -103.52 -34.6 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.665 ' HB3' HG21 ' A' ' 873' ' ' VAL . 4.9 mtt -78.73 -54.44 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 861' ' ' MET . 9.0 p-10 -35.05 106.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.39 43.34 8.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 22.1 ptm -109.22 153.29 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -90.93 134.24 34.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 76.7 mt -146.38 105.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 66.45 36.16 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 70.72 42.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -155.09 114.11 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.0 mm -70.92 110.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.874 HG21 HD23 ' A' ' 808' ' ' LEU . 0.9 OUTLIER -98.29 144.54 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -104.86 154.09 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.665 HG21 ' HB3' ' A' ' 861' ' ' MET . 25.3 t -134.51 149.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.75 158.73 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.0 mm -68.38 115.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 875' ' ' ILE . 3.5 p -35.55 143.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -161.14 154.69 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 32.9 m -149.17 147.91 29.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -176.24 81.5 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 137.47 35.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 51.4 p -120.3 114.05 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 62.1 m -94.11 -48.66 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 46.6 t -120.56 93.52 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 6.3 m -95.47 121.24 36.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 172.44 92.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 52.1 p -170.63 123.23 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 4.9 t -97.49 136.78 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 50.41 92.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.32 142.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -101.06 129.5 46.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.4 151.02 20.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -123.68 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 95.8 p -97.46 144.55 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 86.2 m -94.87 133.87 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 12.5 t -50.39 -52.22 39.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.77 147.59 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -94.58 42.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -75.47 -41.86 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -39.11 -42.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.562 ' O ' HD23 ' A' ' 803' ' ' LEU . 17.2 mtmt -61.85 174.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 854' ' ' ALA . 10.4 mt -140.83 148.31 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.87 ' CE1' HD22 ' A' ' 843' ' ' LEU . 12.4 t80 -122.53 108.17 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.599 ' CG2' HD13 ' A' ' 871' ' ' ILE . 2.8 mt -102.99 141.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.407 ' HA ' HD23 ' A' ' 843' ' ' LEU . 33.1 t -137.54 164.3 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 72.78 44.41 38.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.991 HD23 HG21 ' A' ' 871' ' ' ILE . 23.6 mt -106.91 142.3 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.49 14.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -40.33 -33.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 20.5 m -52.82 -54.17 38.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.1 t -44.89 155.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 1.7 t -139.13 171.51 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.81 ' HG2' HD22 ' A' ' 830' ' ' LEU . 1.4 tmmt? -56.24 -54.73 41.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -43.1 -66.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.74 -58.83 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 817' ' ' LEU . 13.1 tp -49.41 -62.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 830' ' ' LEU . 11.7 tm-20 -40.96 -59.98 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -46.85 -38.97 11.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 50.6 mt -74.27 -28.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.64 -55.86 5.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -52.08 -30.67 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.14 -33.12 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.02 -52.56 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.46 -148.39 4.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 81.4 m -97.69 122.55 40.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.2 t -88.42 101.56 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 828' ' ' LYS . 0.0 OUTLIER -68.96 -43.11 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -163.74 148.34 10.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 814' ' ' LYS . 4.2 tt -133.78 132.41 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.501 ' N ' HD23 ' A' ' 830' ' ' LEU . 1.4 ptm85 -134.81 148.95 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 814' ' ' LYS . 78.3 mt -108.95 150.8 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 12.9 t -105.78 84.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -100.89 -178.75 3.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 837' ' ' ALA . 3.5 p-10 -96.71 -176.21 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -49.24 -38.28 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 835' ' ' ASN . . . -93.96 34.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 44.0 42.6 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.05 143.78 26.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.06 17.38 23.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 68.22 21.69 74.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.87 HD22 ' CE1' ' A' ' 804' ' ' PHE . 25.3 mt -127.37 137.23 52.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -142.42 156.57 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 8.3 m-85 -128.2 130.97 48.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.7 148.24 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -128.31 119.98 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -106.15 176.59 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.97 -50.48 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -108.55 175.11 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.02 -37.58 17.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 33.5 t -56.91 -49.13 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.96 -55.14 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -51.96 -52.16 52.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.7 t -48.51 -60.26 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -45.74 -55.41 6.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.97 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.765 ' CG2' HD22 ' A' ' 803' ' ' LEU . 55.6 t -74.19 -37.96 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.09 -31.23 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -85.32 -60.62 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.645 ' CB ' HG21 ' A' ' 873' ' ' VAL . 36.3 mtt -53.21 -43.25 67.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 8.5 t0 -46.53 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.49 40.83 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.447 ' HE1' HD11 ' A' ' 866' ' ' ILE . 22.7 ptm -103.41 144.13 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.1 m -84.36 126.89 33.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.66 HD12 HG12 ' A' ' 871' ' ' ILE . 51.6 mt -135.07 119.02 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 49.72 45.33 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 63.71 49.28 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -162.16 112.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.18 115.23 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.991 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -104.66 139.72 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -105.23 156.09 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.645 HG21 ' CB ' ' A' ' 861' ' ' MET . 30.6 t -129.98 138.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.5 ' HB3' ' HD2' ' A' ' 804' ' ' PHE . . . -138.81 135.29 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.53 HD13 HG21 ' A' ' 858' ' ' VAL . 30.7 mm -56.8 119.43 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.2 m -62.67 106.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -109.62 40.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 59.6 p 41.53 40.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -116.87 153.98 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 176.82 6.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 60.6 p -78.05 146.61 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 m -95.02 130.16 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 88.1 p -101.66 42.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 47.0 t -50.09 142.86 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -76.5 -123.87 0.2 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 50.8 m -131.13 166.88 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 36.5 t -108.27 -52.29 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -135.66 -79.33 0.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.31 140.77 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -64.82 -46.62 81.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -55.44 133.0 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.84 157.12 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 21.7 m -121.68 108.81 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 22.9 m -106.52 100.77 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 t -63.04 -36.15 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 149.6 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -86.22 96.22 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -44.53 5.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 46.4 p-80 -38.81 -53.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 54.8 mttt -46.25 159.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 1.046 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.3 mt -138.29 157.67 45.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.729 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 1.2 t80 -132.54 135.87 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.536 ' CG2' HD13 ' A' ' 871' ' ' ILE . 6.8 mt -130.16 132.61 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 98.6 p -128.5 151.63 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.02 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.927 HD23 HG21 ' A' ' 871' ' ' ILE . 27.1 mt -97.25 143.38 26.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.97 11.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -40.53 -34.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -52.82 59.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.22 159.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.0 t -147.81 165.96 28.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.464 ' N ' HD11 ' A' ' 832' ' ' LEU . 0.2 OUTLIER -47.13 -53.48 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -45.44 -64.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -44.63 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 817' ' ' LEU . 12.5 tp -43.53 -62.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -43.68 -53.11 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -52.05 -39.49 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 40.3 mt -75.87 -29.43 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 827' ' ' VAL . 62.1 m -70.37 -52.48 22.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' LYS . . . . . 0.407 ' HA ' HG23 ' A' ' 827' ' ' VAL . 37.1 pttt -57.85 -13.49 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.15 -31.24 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -84.27 -41.27 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -159.45 -133.8 1.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 56.0 m -111.72 114.34 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 111.181 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 821' ' ' CYS . 59.6 t -79.31 110.44 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' LYS . . . . . 0.409 ' CB ' ' OE1' ' A' ' 847' ' ' GLU . 28.1 mmmt -80.53 -45.57 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -158.39 142.32 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.8 tt -136.53 137.21 40.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.739 ' N ' HD23 ' A' ' 830' ' ' LEU . 10.7 ptp180 -138.35 147.63 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 814' ' ' LYS . 93.4 mt -111.55 143.93 41.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.1 t -90.49 128.09 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 34.7 p -120.28 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 837' ' ' ALA . 1.8 p30 -117.92 176.97 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -50.51 -18.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.404 ' HB3' ' OD1' ' A' ' 835' ' ' ASN . . . -90.12 -46.85 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 133.83 -36.43 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -51.13 158.29 1.29 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.15 5.51 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -72.92 -11.37 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.19 -38.88 3.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.729 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 28.3 mt -69.96 136.43 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -135.52 138.23 42.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.478 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -110.45 141.4 43.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 846' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 847' ' ' GLU . 67.2 t -129.24 153.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 846' ' ' VAL . 3.4 tm-20 -138.54 108.49 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -90.33 -175.98 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.63 -47.87 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 43.0 p30 -122.56 -177.51 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.85 -44.13 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 8.1 t -47.02 -63.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.2 -52.59 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 1.046 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -48.92 -61.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -44.32 -61.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -44.63 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.64 78.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.631 ' CG2' HD22 ' A' ' 803' ' ' LEU . 55.2 t -65.38 -48.25 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 21.0 mmm -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -71.42 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.519 ' CB ' HG21 ' A' ' 873' ' ' VAL . 16.2 mtp -54.27 -34.22 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -49.79 114.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.56 61.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.437 ' HG2' HD11 ' A' ' 871' ' ' ILE . 19.3 ptm -107.04 162.73 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.355 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.2 m -95.34 137.1 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.485 HD12 HG12 ' A' ' 871' ' ' ILE . 95.5 mt -150.43 108.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 59.6 42.51 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 66.02 48.32 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -161.75 114.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 870' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.2 mm -73.07 108.02 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.927 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -92.63 151.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -114.37 148.91 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 861' ' ' MET . 92.6 t -119.58 158.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -159.56 146.18 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 23.4 mm -59.61 126.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 10.6 t -56.64 105.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -155.37 119.02 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 14.9 t -119.71 146.87 45.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 125.35 -156.22 19.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.97 9.78 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 13.5 t -39.34 -33.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.3 t -96.38 60.91 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 45.3 p 40.61 42.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 68.0 m -95.53 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 99.4 -170.86 23.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 67.9 m -118.99 121.53 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 17.9 m -115.66 125.06 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 130.35 46.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 791' ' ' VAL . 14.6 p -165.13 121.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 792' ' ' PHE . 6.0 p90 -153.29 168.88 24.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -127.63 -44.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -49.43 137.73 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 5.5 t -91.99 170.8 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 9.3 t -118.59 132.81 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.1 m -98.93 -41.6 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.34 147.43 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.59 110.03 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -94.5 -29.69 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 847' ' ' GLU . 39.8 p-80 -64.89 -20.55 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -79.16 153.95 29.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.824 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.5 mt -131.42 146.43 52.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.431 ' CE2' HD22 ' A' ' 843' ' ' LEU . 1.4 t80 -119.42 127.39 53.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.636 HG21 HD21 ' A' ' 808' ' ' LEU . 2.7 mt -121.13 146.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 9.7 t -146.05 161.33 40.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 76.66 22.4 72.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.642 HD23 HG21 ' A' ' 871' ' ' ILE . 40.7 mt -81.64 142.39 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 125.81 12.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -44.96 -29.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 26.2 t -55.26 -51.93 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 25.4 t -51.73 161.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 814' ' ' LYS . 12.0 t -145.65 163.87 33.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.405 ' N ' HD11 ' A' ' 832' ' ' LEU . 15.2 tttm -37.52 -53.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 818' ' ' GLU . 36.1 mt-10 -49.94 -71.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.08 -58.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 817' ' ' LEU . 6.0 tp -58.34 -29.13 65.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' GLU . 10.2 tm-20 -72.1 -59.53 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -49.75 -39.83 38.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 70.9 mt -68.33 -46.24 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 62.2 m -57.17 -56.95 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' LYS . . . . . 0.44 ' HA ' HG23 ' A' ' 827' ' ' VAL . 0.1 OUTLIER -52.35 -17.97 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 823' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -58.99 -40.14 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -76.77 -60.97 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -135.73 -133.46 3.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 19.3 m -110.55 123.24 49.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 822' ' ' LYS . 72.3 t -91.23 103.91 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -71.67 -54.58 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -144.35 148.09 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.8 tt -139.24 128.32 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.491 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.7 ptp180 -133.29 151.25 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 814' ' ' LYS . 37.8 mt -114.1 126.09 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 95.1 t -77.01 100.22 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 22.9 p -111.45 -175.79 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.0 p-10 -100.7 -178.63 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -45.36 -39.69 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.36 30.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 45.44 33.56 4.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -86.42 143.19 36.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.16 10.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.81 -7.73 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.29 -23.6 31.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.431 HD22 ' CE2' ' A' ' 804' ' ' PHE . 48.4 mt -81.39 144.68 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -147.12 150.98 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.5 m-85 -120.67 142.91 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 846' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 847' ' ' GLU . 44.2 t -129.71 153.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 801' ' ' HIS . 0.0 OUTLIER -138.25 112.18 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.08 170.89 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -84.62 -50.34 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -105.41 157.36 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -72.58 -48.21 41.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 m -45.17 -52.85 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.817 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.56 -49.78 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 23.2 t -52.78 -58.65 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.73 -56.81 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.81 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.824 ' CG2' HD22 ' A' ' 803' ' ' LEU . 99.9 t -72.88 -49.65 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.8 mtp -55.91 -16.93 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.92 -49.53 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.515 ' HB3' HG21 ' A' ' 873' ' ' VAL . 7.8 mtt -65.54 -49.61 68.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.3 p-10 -34.52 108.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.06 48.48 20.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 28.6 ptm -108.56 147.92 31.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.1 m -87.15 132.17 33.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 82.6 mt -142.87 109.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? 58.7 41.7 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 67.05 39.94 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -151.29 106.19 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -68.36 115.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.791 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.21 145.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -111.13 141.44 44.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 861' ' ' MET . 25.1 t -121.45 152.73 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.04 145.53 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.34 121.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 28.7 t -42.38 143.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -163.17 119.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.4 t -143.23 123.64 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 158.47 83.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 132.84 24.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.6 m -67.01 159.31 28.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 93.3 p -83.55 -43.08 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 13.5 m -111.72 163.54 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 72.8 m -98.55 147.36 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -138.11 59.23 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 18.7 m -112.01 147.26 36.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 21.4 t -100.44 114.58 28.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 149.02 157.02 7.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.7 -19.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 61.61 48.87 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' ARG . . . . . 0.478 ' CD ' ' C ' ' A' ' 793' ' ' ARG . 0.0 OUTLIER -84.52 -4.11 58.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -68.09 133.63 49.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 41.9 p -135.83 162.45 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 59.6 m -125.44 -57.34 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 75.0 m -50.27 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.678 ' O ' HD12 ' A' ' 798' ' ' LEU . 7.8 tp -106.21 2.5 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -108.57 93.52 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -96.82 -43.26 7.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -44.5 -47.57 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -61.83 145.78 51.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' A' ' 858' ' ' VAL . 14.8 mt -117.31 151.66 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -122.38 110.51 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.748 HG23 HG22 ' A' ' 873' ' ' VAL . 4.5 mt -109.0 136.52 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 78.0 p -140.28 155.69 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.48 -3.79 66.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.692 HD23 HG21 ' A' ' 871' ' ' ILE . 35.6 mt -61.72 143.45 93.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 164.75 33.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -75.77 -19.09 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 58.8 m -72.76 -41.06 65.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.2 154.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -142.07 158.07 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 815' ' ' GLU . 20.8 ttmt -39.2 -64.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 814' ' ' LYS . 43.9 mt-10 -36.0 -65.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -43.25 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 817' ' ' LEU . 11.3 tp -42.19 -49.78 4.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -52.42 -58.45 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -49.56 -45.34 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 33.9 mt -68.9 -25.84 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.57 -56.59 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -55.82 -15.58 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.13 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -87.49 -56.8 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 853' ' ' GLN . . . -137.72 -134.64 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 85.9 m -115.28 119.33 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.79 115.0 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.55 -36.78 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.04 145.08 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 3.0 tt -140.25 128.9 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 9.8 ptp180 -131.89 147.6 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 92.3 mt -113.59 146.23 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 16.8 t -91.21 133.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 30.9 p -136.53 -178.21 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.569 ' OD1' ' HB3' ' A' ' 837' ' ' ALA . 3.5 p30 -119.6 -176.77 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.81 -14.18 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.569 ' HB3' ' OD1' ' A' ' 835' ' ' ASN . . . -92.23 -36.71 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 113.47 -25.28 11.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -60.37 143.94 88.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.8 18.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.386 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -91.33 -4.51 55.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 107.84 -38.48 3.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.53 139.99 57.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.7 157.2 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.448 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.5 m-85 -128.12 139.89 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 846' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 847' ' ' GLU . 26.2 t -129.87 158.2 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 846' ' ' VAL . 13.4 tt0 -139.6 118.61 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 848' ' ' TYR . . . . . 0.422 ' CE1' HD11 ' A' ' 803' ' ' LEU . 13.3 m-85 -95.63 -175.15 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -101.96 -37.51 8.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.82 172.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -83.8 -46.23 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.4 t -56.06 -50.15 71.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 853' ' ' GLN . . . . . 0.426 ' OE1' ' CA ' ' A' ' 825' ' ' GLY . 33.0 mt-30 -50.68 -55.25 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.551 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -53.23 -55.96 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.9 t -45.7 -58.78 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -51.65 -52.03 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -48.68 -40.75 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.592 ' CG2' HD22 ' A' ' 803' ' ' LEU . 46.8 t -67.85 -45.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.6 -18.02 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.764 ' HB3' HG21 ' A' ' 873' ' ' VAL . 5.1 mtt -82.16 -56.02 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 1.7 p-10 -34.42 113.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 75.26 44.04 23.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.553 ' CE ' HD11 ' A' ' 866' ' ' ILE . 28.3 ptm -108.09 154.09 22.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 865' ' ' THR . . . . . 0.4 ' C ' HG13 ' A' ' 866' ' ' ILE . 7.5 m -97.43 135.23 39.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.553 HD11 ' CE ' ' A' ' 864' ' ' MET . 60.3 mt -144.08 121.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt 49.53 38.65 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 69.7 49.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -161.66 111.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -72.64 117.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.754 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.2 pp -109.03 148.65 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -107.48 160.04 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 861' ' ' MET . 30.7 t -138.4 156.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.444 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -162.15 154.72 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 876' ' ' SER . 34.1 mm -58.31 124.29 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 875' ' ' ILE . 14.5 t -34.93 121.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -135.65 155.48 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.1 m -142.31 118.4 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 54.24 74.98 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -24.37 29.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.1 t -116.31 88.95 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.3 t -56.74 97.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 39.9 p -75.4 161.1 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 42.1 m -152.32 173.85 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 137.81 158.26 7.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 78.2 p -154.96 157.52 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 9.0 t -111.92 92.89 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' GLY . . . . . 0.402 ' C ' HG22 ' A' ' 791' ' ' VAL . . . 164.05 -79.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 791' ' ' VAL . . . . . 0.402 HG22 ' C ' ' A' ' 790' ' ' GLY . 35.5 m 41.08 28.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.27 -21.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.26 178.47 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -111.93 13.63 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 12.4 p -55.08 142.4 30.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' THR . . . . . 0.457 HG22 ' OE2' ' A' ' 851' ' ' GLU . 35.3 p -102.33 122.31 44.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 17.8 m -81.7 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 34.2 mt -111.05 -175.86 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -97.96 86.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -108.15 37.59 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 39.5 p-80 -102.63 -44.05 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 3.5 mtpm? -57.88 161.53 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.678 HD22 HG22 ' A' ' 858' ' ' VAL . 19.9 mt -130.65 151.3 51.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.51 ' O ' ' CD2' ' A' ' 804' ' ' PHE . 16.1 t80 -126.57 98.41 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 871' ' ' ILE . 5.0 mt -95.65 142.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.467 ' CB ' HD23 ' A' ' 843' ' ' LEU . 81.3 p -143.3 150.61 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.5 14.7 55.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.952 HD23 HG21 ' A' ' 871' ' ' ILE . 70.0 mt -75.26 141.77 74.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.76 31.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.42 -36.34 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 73.3 m -51.71 -50.87 59.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 18.6 t -51.96 159.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -142.95 165.11 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.609 ' HB2' HD11 ' A' ' 832' ' ' LEU . 17.7 ttmt -38.39 -58.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -44.39 -67.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -39.64 -64.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.1 tp -47.2 -57.4 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -46.86 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -43.03 -40.2 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' ILE . . . . . 0.566 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 64.7 mt -72.17 -42.63 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.37 -56.83 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.23 -17.74 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -83.38 -57.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -137.67 -130.49 2.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 826' ' ' THR . . . . . 0.438 ' N ' ' OE1' ' A' ' 853' ' ' GLN . 58.7 m -120.16 123.12 42.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.93 108.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.06 -37.66 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -165.67 140.27 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.5 tt -126.08 133.2 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.512 ' N ' HD23 ' A' ' 830' ' ' LEU . 2.9 tpm_? -129.5 147.0 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 814' ' ' LYS . 15.6 mt -115.61 124.85 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.2 100.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.9 p -112.62 165.06 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.31 -174.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 -60.18 -10.15 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -95.83 2.26 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 62.21 27.52 69.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -110.8 143.9 29.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.8 8.51 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.75 2.3 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 15.53 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 90.54 -32.11 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 806' ' ' SER . 23.3 mt -79.31 139.59 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.12 33.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -118.3 137.24 53.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.61 142.61 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -124.58 124.97 43.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.89 -177.61 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.17 -47.86 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -123.68 -175.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.457 ' OE2' HG22 ' A' ' 796' ' ' THR . 18.6 mt-10 -84.34 -45.04 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 9.6 t -42.58 -57.36 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 853' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 826' ' ' THR . 34.0 mt-30 -53.47 -59.03 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -43.29 -47.67 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.1 t -56.21 -57.51 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 856' ' ' GLN . . . . . 0.439 ' C ' ' OE1' ' A' ' 856' ' ' GLN . 1.3 tm0? -50.44 -56.58 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -50.75 -34.79 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 854' ' ' ALA . 98.5 t -71.65 -42.79 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.8 mtt -65.33 -22.01 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 860' ' ' LYS . . . . . 0.4 ' HA ' ' CE ' ' A' ' 860' ' ' LYS . 0.0 OUTLIER -94.27 -60.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.856 ' CB ' HG21 ' A' ' 873' ' ' VAL . 7.0 mtt -55.99 -55.14 36.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 9.7 t70 -34.54 98.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.21 45.87 6.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.494 ' CE ' HD11 ' A' ' 866' ' ' ILE . 17.0 ptm -110.29 146.07 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.41 138.19 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.494 HD11 ' CE ' ' A' ' 864' ' ' MET . 81.5 mt -147.55 110.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 55.35 45.31 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 64.59 45.42 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -158.0 110.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.41 120.69 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.952 HG21 HD23 ' A' ' 808' ' ' LEU . 1.2 pp -109.18 143.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -105.81 154.07 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.856 HG21 ' CB ' ' A' ' 861' ' ' MET . 39.8 t -131.06 134.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -134.18 147.31 50.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.697 ' CD1' HG21 ' A' ' 858' ' ' VAL . 13.2 mm -67.8 105.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.8 t -54.37 100.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -145.73 160.64 41.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 9.6 t -92.19 132.91 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -154.84 83.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 99.78 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.404 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 25.8 p -160.95 159.12 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.0 t -62.85 93.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.505 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 50.1 m -93.97 162.08 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 42.3 t -137.22 141.54 42.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -156.31 89.4 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 26.9 t -75.72 124.18 26.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 38.4 p -108.08 176.15 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 119.09 -46.48 1.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.48 96.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -88.24 93.7 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -138.2 134.07 34.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.97 130.34 45.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 2.3 t -120.79 -42.8 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 51.1 p -88.11 -44.27 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.3 t -65.14 85.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 60.6 mt -122.9 179.53 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -92.07 52.44 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -114.24 71.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 11.4 p-80 -121.95 -48.5 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.401 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 50.6 mttt -62.65 148.94 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.974 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.7 mt -117.51 157.7 25.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.436 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 55.7 t80 -136.79 116.83 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.758 ' CG2' HD13 ' A' ' 871' ' ' ILE . 11.5 mt -111.71 144.25 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 3.3 p -137.6 150.44 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 807' ' ' GLY . . . . . 0.52 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 85.5 42.17 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 871' ' ' ILE . 69.9 mt -97.78 144.05 27.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.19 27.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -50.76 -26.93 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.0 m -63.01 -50.92 68.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 33.6 t -41.41 162.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.8 t -158.37 157.83 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 815' ' ' GLU . 2.2 tppt? -35.76 -65.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 814' ' ' LYS . 22.0 mt-10 -34.59 -63.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -49.69 -66.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.438 HD23 HD21 ' A' ' 830' ' ' LEU . 10.3 tp -46.71 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 817' ' ' LEU . 5.1 tt0 -37.37 -50.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -53.98 -42.96 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 820' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 73.5 mt -69.57 -34.37 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.69 -59.26 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -13.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 823' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -69.62 -36.3 76.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -83.63 -54.0 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -146.9 -150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.9 m -90.52 133.64 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 64.6 t -102.92 109.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -80.41 -44.05 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -154.35 152.79 30.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.438 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -148.53 125.34 11.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.494 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 12.7 ptm180 -129.47 148.36 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 834' ' ' THR . 26.5 mt -119.12 120.02 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.472 HG12 ' HD3' ' A' ' 841' ' ' LYS . 39.0 t -61.98 92.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 834' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 832' ' ' LEU . 50.3 p -94.17 -176.05 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -108.9 -179.12 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.9 mtm-85 -53.63 -29.38 37.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.09 -28.08 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 120.56 -8.06 11.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 143.84 84.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.65 8.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HD3' HG12 ' A' ' 833' ' ' VAL . 49.5 mtpt -84.23 -15.95 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.85 7.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.436 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 15.2 mt -82.38 124.99 30.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -126.96 132.85 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.3 m-85 -106.61 137.6 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 846' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 847' ' ' GLU . 47.5 t -122.6 154.43 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 846' ' ' VAL . 3.4 tt0 -137.43 110.21 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -92.1 -178.23 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.63 -34.27 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.75 152.6 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.85 -55.61 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 52.2 m -38.96 -58.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -47.7 -63.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.974 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -43.29 -53.35 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -46.72 -62.94 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -50.76 -56.17 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 861' ' ' MET . . . -46.77 -34.01 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.677 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -76.06 -49.14 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 56.0 mmm -57.48 -19.52 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -101.23 -44.72 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.648 ' CB ' HG21 ' A' ' 873' ' ' VAL . 2.4 mmt -68.94 -51.84 35.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 862' ' ' ASP . 0.9 OUTLIER -40.5 114.26 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.48 45.62 36.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 866' ' ' ILE . 20.9 ptm -107.63 154.64 21.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.8 m -95.86 118.66 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.516 HD11 ' SD ' ' A' ' 864' ' ' MET . 86.4 mt -125.63 109.63 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.97 37.13 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 72.23 45.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -154.59 105.38 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 870' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.9 mp -65.78 107.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.812 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -98.66 146.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 872' ' ' LYS . . . . . 0.653 ' NZ ' ' HB2' ' A' ' 874' ' ' ALA . 21.8 tttm -106.68 147.52 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.648 HG21 ' CB ' ' A' ' 861' ' ' MET . 59.2 t -123.68 149.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.653 ' HB2' ' NZ ' ' A' ' 872' ' ' LYS . . . -155.27 146.59 22.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 49.4 mm -60.21 115.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.6 t -34.58 142.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -78.03 120.92 23.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 60.2 p -168.46 133.06 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 143.69 -158.2 27.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 148.58 65.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.4 t -72.01 91.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 19.6 m -123.28 120.23 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 8.9 t -169.71 112.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 37.3 p -90.22 175.31 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 119.88 59.85 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 13.4 t -127.26 86.17 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 41.7 m -124.18 157.66 34.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -93.23 157.57 23.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 13.9 p -126.03 139.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -165.56 115.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 170.06 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -92.78 167.75 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 38.7 t -120.2 116.22 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 8.4 m -98.92 119.46 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 75.0 p -79.61 -34.39 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -58.6 -177.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.71 34.96 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -82.07 46.21 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 33.2 p-80 -112.7 -49.9 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.795 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 48.0 mttt -54.38 160.85 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.895 HD22 ' CG2' ' A' ' 858' ' ' VAL . 11.5 mt -133.99 150.46 51.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.791 ' CE1' HD22 ' A' ' 843' ' ' LEU . 14.3 t80 -122.11 101.78 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 871' ' ' ILE . 2.5 mt -95.86 138.06 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 7.5 t -138.94 160.25 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.7 -10.84 73.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.71 141.6 13.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -53.46 -27.5 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.5 t -71.39 -37.92 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 17.1 t -39.51 141.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.596 HG22 ' CG ' ' A' ' 816' ' ' GLU . 6.1 t -128.11 154.3 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -44.93 -58.64 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.75 -61.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.596 ' CG ' HG22 ' A' ' 813' ' ' THR . 30.4 mm-40 -40.8 -65.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.457 HD23 HD21 ' A' ' 830' ' ' LEU . 12.2 tp -48.88 -57.32 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -41.79 -56.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.74 -43.1 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 820' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 84.2 mt -67.8 -36.22 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 30.8 m -68.53 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -52.75 -17.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -69.14 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -88.89 -51.3 5.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.7 6.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 826' ' ' THR . . . . . 0.493 HG22 ' CE ' ' A' ' 828' ' ' LYS . 66.4 m -93.29 116.39 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.148 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.52 117.76 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' LYS . . . . . 0.493 ' CE ' HG22 ' A' ' 826' ' ' THR . 6.4 mmpt? -88.72 -40.71 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -160.39 145.57 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.457 HD21 HD23 ' A' ' 817' ' ' LEU . 2.5 tt -135.82 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.42 ' C ' ' HD3' ' A' ' 831' ' ' ARG . 0.0 OUTLIER -122.13 149.61 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 65.9 mt -113.37 133.75 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.449 ' HB ' ' CB ' ' A' ' 843' ' ' LEU . 72.1 t -89.92 104.74 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 16.1 p -113.98 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.71 -179.78 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -48.79 -37.2 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -97.03 36.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.73 24.23 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -78.58 143.75 64.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 121.58 8.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.286 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.07 9.87 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 69.68 25.59 75.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.791 HD22 ' CE1' ' A' ' 804' ' ' PHE . 33.2 mt -128.4 144.15 51.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.89 141.8 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -107.6 145.01 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 81.3 t -124.66 150.14 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.69 114.59 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -98.07 177.18 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.86 -43.06 9.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -120.52 160.54 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.1 -60.41 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 75.0 m -38.31 -50.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -53.8 -52.97 58.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.752 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -50.73 -60.58 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 855' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 858' ' ' VAL . 7.6 t -44.37 -61.85 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -41.26 -52.48 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.895 ' CG2' HD22 ' A' ' 803' ' ' LEU . 98.6 t -71.19 -46.16 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 12.0 mtp -64.64 -51.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.48 -60.65 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.725 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.7 mtp -58.4 -44.74 89.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.8 OUTLIER -35.7 110.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.37 50.07 40.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 21.0 ptm -110.28 152.38 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 5.8 m -89.57 134.45 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.666 HD12 HG12 ' A' ' 871' ' ' ILE . 49.0 mt -141.4 109.64 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 55.28 40.27 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 71.44 40.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -149.59 112.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 870' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.9 mp -72.07 106.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.794 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -97.55 151.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 872' ' ' LYS . . . . . 0.467 ' N ' HD12 ' A' ' 871' ' ' ILE . 19.0 ttmm -116.02 148.23 40.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.725 HG21 ' CB ' ' A' ' 861' ' ' MET . 78.5 t -123.08 119.06 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -120.38 154.81 34.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.76 124.75 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 26.3 t -56.44 126.87 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -71.93 -61.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 156.24 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -59.12 156.7 24.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 38.7 m -100.67 97.48 8.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 84.6 p -50.17 128.07 18.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 49.0 m -108.28 178.01 4.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.8 t -49.69 170.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 94.45 -170.97 30.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 57.9 m -76.59 80.54 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 2.9 m -166.61 109.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 60.42 158.05 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 24.6 m -60.08 138.33 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 792' ' ' PHE . 1.4 p90 -102.05 144.85 30.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -125.07 -58.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -108.68 119.67 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 6.9 t -136.3 116.91 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.57 93.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.5 t -91.51 157.68 16.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 5.7 mp -121.9 146.7 46.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -94.91 99.0 11.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -125.19 23.78 7.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -83.94 -34.49 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 876' ' ' SER . 32.2 mmtt -67.81 152.73 45.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.725 HD22 HG22 ' A' ' 858' ' ' VAL . 13.7 mt -124.97 153.2 43.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.724 ' CE1' HD22 ' A' ' 843' ' ' LEU . 13.8 t80 -129.2 109.15 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.4 HD12 HD21 ' A' ' 817' ' ' LEU . 4.2 mt -103.85 135.49 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 91.9 p -134.19 160.14 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.06 76.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.765 HD23 HG21 ' A' ' 871' ' ' ILE . 40.8 mt -55.64 142.7 61.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -97.83 -38.88 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 812' ' ' CYS . 16.0 m -56.22 -47.73 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 812' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 811' ' ' SER . 4.0 t -35.17 152.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 816' ' ' GLU . 5.2 t -145.46 156.59 43.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -41.94 -62.03 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.55 -60.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.424 ' H ' HG23 ' A' ' 813' ' ' THR . 55.1 mm-40 -43.25 -71.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.4 HD21 HD12 ' A' ' 805' ' ' ILE . 12.5 tp -44.97 -57.97 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.468 ' HB2' HD13 ' A' ' 830' ' ' LEU . 4.9 tm-20 -42.68 -49.73 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.37 -38.18 76.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.94 -32.75 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 40.5 m -71.06 -54.86 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 822' ' ' LYS . . . . . 0.604 ' HA ' HG23 ' A' ' 827' ' ' VAL . 0.0 OUTLIER -55.57 -16.79 4.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.73 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -76.69 -52.14 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.47 -157.38 7.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 90.1 m -83.64 122.66 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 822' ' ' LYS . 94.0 t -91.3 113.95 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -82.21 -49.67 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -151.65 157.8 42.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 818' ' ' GLU . 2.8 tt -147.56 125.42 11.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -127.92 151.99 48.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 844' ' ' ALA . 67.6 mt -118.53 126.47 52.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.495 HG12 ' HD3' ' A' ' 841' ' ' LYS . 41.6 t -77.6 127.98 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 7.4 p -131.88 -177.4 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -101.51 -179.71 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -48.34 -31.54 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -100.49 33.12 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 49.95 29.17 13.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -86.99 143.57 35.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.495 ' HD3' HG12 ' A' ' 833' ' ' VAL . 33.5 mtpt -100.07 -11.53 20.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.01 13.94 41.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.724 HD22 ' CE1' ' A' ' 804' ' ' PHE . 41.2 mt -123.18 139.36 54.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -148.39 154.73 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.15 138.34 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 28.8 t -123.41 142.42 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -122.82 124.38 43.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.94 -179.8 4.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -85.27 -42.72 14.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -129.34 -179.19 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -81.57 -51.27 8.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 37.0 t -38.63 -59.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -50.0 -56.75 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -45.84 -59.18 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -43.6 -57.47 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.48 -54.2 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.37 -34.21 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.725 HG22 HD22 ' A' ' 803' ' ' LEU . 59.2 t -73.08 -46.85 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.3 mmt -61.49 -23.21 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -91.88 -61.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.548 ' CB ' HG21 ' A' ' 873' ' ' VAL . 29.0 mtt -52.79 -35.79 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.575 ' HA ' HG23 ' A' ' 873' ' ' VAL . 3.2 t70 -51.56 122.6 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.48 92.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.565 ' HG2' HD11 ' A' ' 871' ' ' ILE . 23.5 ptm -109.57 146.81 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.7 m -89.53 129.92 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.448 HD12 HG12 ' A' ' 871' ' ' ILE . 96.4 mt -137.06 111.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp 58.36 36.9 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 72.26 48.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -158.8 107.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 870' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.3 mm -67.24 106.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.765 HG21 HD23 ' A' ' 808' ' ' LEU . 1.3 pp -96.75 149.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -111.9 156.84 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' A' ' 862' ' ' ASP . 11.9 t -126.24 149.13 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.03 142.68 22.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 876' ' ' SER . 47.3 mm -57.11 118.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.423 ' HB3' ' C ' ' A' ' 802' ' ' LYS . 3.6 p -35.98 118.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -104.33 110.82 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.1 t -105.27 91.08 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 96.51 81.66 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -15.96 37.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.9 t -87.92 -60.82 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 23.6 m -131.59 150.35 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 43.1 m -158.45 135.91 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.4 t -83.54 161.33 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -166.16 -179.57 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.9 m -134.57 -61.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 48.5 t -55.52 132.59 48.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -158.78 -141.49 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 27.4 m -97.83 142.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.87 156.48 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 795' ' ' SER . 80.2 mtt180 -39.56 -73.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -55.24 85.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 793' ' ' ARG . 1.3 t -101.2 84.7 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 8.8 t -97.82 149.03 22.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.1 p -47.97 121.84 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 11.7 mt -116.58 168.05 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.1 47.25 2.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -107.26 -39.57 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -43.26 -35.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -62.81 165.32 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 858' ' ' VAL . 33.2 mt -134.63 145.87 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.529 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 42.1 t80 -121.85 104.82 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.543 HG23 HG22 ' A' ' 873' ' ' VAL . 3.8 mt -101.92 138.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.529 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 1.7 m -137.29 144.66 42.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 807' ' ' GLY . . . . . 0.412 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 91.93 40.66 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.82 HD23 HG21 ' A' ' 871' ' ' ILE . 48.1 mt -101.87 144.11 27.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.12 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -47.52 -35.47 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 31.7 m -54.28 -50.79 66.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.24 151.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.9 t -138.18 157.53 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.3 OUTLIER -36.13 -64.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 818' ' ' GLU . 79.0 mm-40 -36.16 -68.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 13.7 mt-10 -37.41 -62.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.433 HD21 HD12 ' A' ' 805' ' ' ILE . 11.7 tp -56.91 -31.24 64.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 815' ' ' GLU . 19.4 tt0 -63.97 -57.59 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.4 pt-20 -55.0 -38.91 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 820' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 98.7 mt -70.19 -45.13 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 821' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' A' ' 861' ' ' MET . 98.3 m -61.76 -55.26 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 822' ' ' LYS . . . . . 0.493 ' HA ' HG23 ' A' ' 827' ' ' VAL . 23.7 pttt -53.48 -16.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -66.08 -46.38 77.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -66.16 -52.97 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -142.24 -126.3 2.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 88.7 m -123.59 114.42 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 822' ' ' LYS . 92.7 t -77.96 120.03 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -94.87 -38.34 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -157.43 145.22 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' A' ' 846' ' ' VAL . 2.4 tt -139.61 128.3 23.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.0 ptp180 -131.34 153.08 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 38.7 mt -118.0 123.49 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.01 90.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.1 p -93.99 173.6 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.3 t-20 -94.01 173.2 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -38.84 -46.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.9 37.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 47.18 40.02 13.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.53 145.75 30.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.18 14.22 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -110.62 -8.23 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.83 -38.83 2.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.452 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 51.0 mt -68.22 138.96 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.17 145.69 36.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.48 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -117.46 133.47 55.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 846' ' ' VAL . . . . . 0.409 HG22 ' HG ' ' A' ' 830' ' ' LEU . 59.1 t -123.23 151.54 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.52 112.49 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -93.68 172.66 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.37 -49.24 8.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -109.46 171.72 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 852' ' ' SER . 16.2 pt-20 -83.13 -47.27 11.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 852' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 55.7 m -46.39 -51.77 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.59 -58.32 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -44.85 -54.45 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 47.3 t -48.54 -64.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -44.93 -53.47 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -54.23 -41.0 68.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 803' ' ' LEU . 59.0 t -57.71 -45.98 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -58.19 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -57.65 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.777 ' CB ' HG21 ' A' ' 873' ' ' VAL . 31.1 mtt -63.23 -45.85 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -39.67 96.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 863' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 861' ' ' MET . . . 82.42 44.82 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 19.7 ptm -106.66 147.11 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 865' ' ' THR . . . . . 0.4 ' C ' HG13 ' A' ' 866' ' ' ILE . 1.1 m -83.15 141.85 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 865' ' ' THR . 92.2 mt -151.62 107.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 867' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 816' ' ' GLU . 24.1 mtmm 59.37 35.44 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.42 44.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -155.95 112.79 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.71 114.72 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.82 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -102.45 149.96 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 872' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 66.1 tttt -114.87 153.15 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.777 HG21 ' CB ' ' A' ' 861' ' ' MET . 24.0 t -132.5 131.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -129.8 147.04 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.595 HD13 HG21 ' A' ' 858' ' ' VAL . 36.8 mm -59.56 114.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.2 t -35.04 130.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.62 141.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 59.6 p -169.41 160.58 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 138.33 145.21 4.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 98.58 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 42.1 t -67.99 81.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 84.7 p -58.66 -53.01 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 90.1 p -134.17 147.89 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 17.5 t -83.81 -51.61 7.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -136.64 57.99 0.66 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 22.1 m 59.54 35.91 22.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 54.7 m -60.62 126.38 27.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -94.56 162.9 24.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 35.4 m -105.67 39.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.96 175.84 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.54 -47.78 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -104.36 127.66 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 60.6 p -60.18 126.65 28.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 88.3 m -107.35 97.79 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 64.8 m -80.48 -43.77 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 799' ' ' GLU . 1.0 OUTLIER -40.81 142.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 799' ' ' GLU . . . . . 0.695 ' O ' HD12 ' A' ' 798' ' ' LEU . 1.1 pm0 -34.82 117.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 25.72 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -93.75 -46.67 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -56.69 179.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 854' ' ' ALA . 14.2 mt -146.68 153.59 40.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.59 ' CE2' HD22 ' A' ' 843' ' ' LEU . 3.1 t80 -127.7 134.06 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 872' ' ' LYS . 10.0 mt -132.98 146.81 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.7 p -138.53 155.76 48.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 78.88 55.93 3.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.603 HD23 HG21 ' A' ' 871' ' ' ILE . 42.7 mt -110.91 143.14 27.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 809' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 810' ' ' PHE . 53.5 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 810' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 809' ' ' PRO . 22.6 m-85 -36.96 -35.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 40.8 m -57.27 -50.81 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 38.8 t -41.14 150.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 11.3 t -138.02 159.09 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 815' ' ' GLU . 36.9 ttmt -44.06 -63.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 814' ' ' LYS . 17.4 mt-10 -35.41 -66.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -40.8 -72.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 818' ' ' GLU . 12.0 tp -46.4 -63.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 817' ' ' LEU . 28.4 tt0 -35.67 -54.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.86 -54.29 44.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 37.3 mt -54.99 -33.95 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 87.4 m -66.55 -44.98 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.23 -35.71 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.55 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 93.5 m-70 -75.27 -56.84 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.9 -155.56 6.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 23.8 m -93.39 118.54 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.84 112.03 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -79.83 -35.73 37.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -168.67 156.45 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 831' ' ' ARG . 3.4 tt -143.92 134.0 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.518 ' N ' HD23 ' A' ' 830' ' ' LEU . 4.1 ptp180 -131.27 150.1 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 85.8 mt -118.02 144.62 45.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.45 HG12 ' HG3' ' A' ' 841' ' ' LYS . 60.5 t -88.5 115.25 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 71.3 p -112.48 -176.94 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 838' ' ' GLY . 62.8 t30 -122.02 174.23 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -44.03 -41.0 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.4 ' O ' ' CE ' ' A' ' 839' ' ' LYS . . . -90.0 31.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 52.34 23.2 12.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 839' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 837' ' ' ALA . 6.6 mmpt? -85.64 141.32 36.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 114.14 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.45 ' HG3' HG12 ' A' ' 833' ' ' VAL . 2.6 mmmm -71.41 -18.36 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.43 -31.38 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.59 HD22 ' CE2' ' A' ' 804' ' ' PHE . 23.0 mt -70.86 155.39 40.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -150.21 128.32 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.5 m-85 -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.78 150.42 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -128.73 112.39 14.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.25 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -89.27 -45.49 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -117.27 141.48 48.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.89 -44.53 78.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 19.3 m -48.72 -57.39 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -49.97 -48.69 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -55.23 -44.71 75.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 14.7 t -55.29 -61.04 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.87 -57.13 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.407 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -45.8 -39.47 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.863 ' CG2' HD22 ' A' ' 803' ' ' LEU . 89.3 t -69.82 -53.41 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 23.4 mtm -51.67 -23.18 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -93.44 -46.77 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 862' ' ' ASP . 7.7 mtt -69.93 -57.02 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -34.41 114.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.88 45.13 34.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.495 ' HG2' HD11 ' A' ' 871' ' ' ILE . 27.1 ptm -109.12 167.56 10.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.2 m -106.36 131.72 53.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 86.8 mt -143.1 106.57 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp 62.87 40.3 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 67.3 44.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -153.18 109.66 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 870' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 870' ' ' ILE . 7.8 mm -69.16 110.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.764 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.1 pp -96.6 146.1 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 872' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 805' ' ' ILE . 21.9 tttp -110.01 150.08 29.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.664 ' CG1' HG13 ' A' ' 858' ' ' VAL . 74.9 t -126.87 148.33 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -155.19 137.52 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.36 121.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 9.7 p -38.67 156.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -166.04 126.28 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 3.2 m -118.86 136.75 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -151.79 83.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 85.13 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.2 t 51.85 44.72 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 100.0 p -93.58 -41.35 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 68.8 m 39.5 50.36 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 82.7 p -92.54 120.86 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -105.63 -41.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 5.2 t -94.33 143.69 26.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.841 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 19.3 m 65.55 43.27 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -106.18 -124.29 5.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.44 135.41 49.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -156.27 134.11 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -76.91 166.14 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -119.1 94.59 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 57.3 m -113.29 146.36 39.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 71.5 p -121.26 40.08 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 94.6 p -105.86 163.3 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 6.1 mp -123.12 44.79 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.66 80.18 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -107.31 -40.73 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.47 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 3.4 p-80 -48.04 -34.25 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.47 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 15.1 mtpt -80.34 151.74 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.774 HD21 ' HB1' ' A' ' 854' ' ' ALA . 11.6 mt -124.29 159.1 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.422 ' O ' ' CD1' ' A' ' 804' ' ' PHE . 2.4 t80 -128.97 114.0 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.519 HG12 HG13 ' A' ' 873' ' ' VAL . 5.2 mt -108.49 150.1 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 90.6 p -148.7 156.35 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.15 32.32 32.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.799 HD23 HG21 ' A' ' 871' ' ' ILE . 75.8 mt -91.22 143.17 27.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 141.73 46.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.54 -22.05 64.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 4.0 t -64.59 -48.2 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.35 170.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.5 t -148.92 170.3 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -47.96 -58.06 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 816' ' ' GLU . 49.6 mt-10 -40.83 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 38.1 mm-40 -36.46 -58.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.609 HD23 HD21 ' A' ' 830' ' ' LEU . 7.3 tp -54.14 -41.77 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 815' ' ' GLU . 1.2 tp10 -60.46 -60.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 819' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.2 pt-20 -51.83 -46.4 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.21 -31.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 96.6 m -78.93 -36.7 41.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.18 -26.97 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -67.79 -45.68 74.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -66.26 -49.28 67.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -165.57 -153.98 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 52.4 m -87.49 129.53 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.184 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.93 116.72 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -84.79 -44.56 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -161.4 145.8 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.609 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -137.26 129.05 28.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 24.0 ptt180 -135.84 152.63 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.24 144.36 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.6 t -87.11 133.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.5 p -133.29 -177.98 4.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -110.74 -176.29 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -56.11 -38.91 71.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.99 25.26 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 56.35 30.37 58.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.07 141.4 29.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 130.19 18.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -97.38 -18.63 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.68 -11.39 56.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.61 151.15 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.38 24.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.457 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.8 m-85 -105.94 125.77 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.0 150.75 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -137.54 106.66 6.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -88.74 -178.98 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.0 -38.82 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -120.63 159.26 25.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 852' ' ' SER . 14.2 pt-20 -71.14 -44.24 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 852' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 70.8 m -48.75 -59.04 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -47.42 -58.61 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.774 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.64 -53.9 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 32.5 t -49.25 -59.68 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -49.72 -52.08 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.9 -32.04 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.719 ' CG2' HD22 ' A' ' 803' ' ' LEU . 86.3 t -72.93 -42.69 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.19 -23.84 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -90.02 -57.38 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.738 ' CB ' HG21 ' A' ' 873' ' ' VAL . 11.2 mmm -60.15 -51.92 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 30.4 t70 -37.71 105.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.532 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 871' ' ' ILE . 16.8 ptm -108.61 152.06 25.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -94.63 133.15 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 83.4 mt -140.02 107.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 57.82 41.59 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 69.23 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -150.38 105.72 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.66 112.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.799 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -102.12 142.96 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -103.73 155.99 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.738 HG21 ' CB ' ' A' ' 861' ' ' MET . 5.2 t -139.67 144.36 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.54 151.75 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.1 130.67 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 7.5 p -56.72 113.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -132.08 92.08 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 70.8 p -37.46 107.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -147.22 178.12 25.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.9 t -60.22 151.64 26.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 8.5 t -41.1 -49.74 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 44.5 m -149.29 113.82 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 4.0 m -129.89 152.79 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -55.99 127.17 42.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 35.9 t -114.74 115.64 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 5.0 m -99.58 -46.31 5.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 88.0 -89.47 1.61 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.45 145.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.45 135.65 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -130.86 93.45 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.59 104.85 16.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 77.8 p -73.08 -31.86 64.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 67.7 p -129.19 91.49 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -73.86 84.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.84 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -87.95 47.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -89.8 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.542 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 22.0 p-80 -105.13 -37.37 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 802' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 33.4 mtpt -69.35 159.12 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 1.049 HD21 ' HB1' ' A' ' 854' ' ' ALA . 9.6 mt -133.85 165.52 24.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 3.7 t80 -137.76 136.61 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.668 ' CG2' HD13 ' A' ' 871' ' ' ILE . 8.2 mt -133.06 138.55 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 87.8 p -135.84 161.0 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 77.46 36.89 32.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.945 HD23 HG21 ' A' ' 871' ' ' ILE . 40.9 mt -97.36 143.91 27.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.953 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.36 17.38 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -44.0 -35.29 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 89.7 p -53.44 -51.05 63.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 1.9 t -39.82 156.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 814' ' ' LYS . 14.7 t -149.09 158.86 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.0 OUTLIER -35.68 -65.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 815' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 816' ' ' GLU . 3.7 mp0 -36.52 -71.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 816' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 815' ' ' GLU . 38.3 mm-40 -36.04 -67.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.538 HD23 HD21 ' A' ' 830' ' ' LEU . 10.4 tp -47.22 -61.18 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.88 -54.04 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.99 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.4 -29.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 92.9 m -81.02 -60.43 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 822' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 822' ' ' LYS . 0.0 OUTLIER -44.43 -28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.93 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.57 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 826' ' ' THR . . . . . 0.516 ' O ' ' CD2' ' A' ' 848' ' ' TYR . 99.5 m -96.23 131.87 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 822' ' ' LYS . 89.8 t -100.1 104.26 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -70.07 -42.22 73.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -162.19 147.26 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.538 HD21 HD23 ' A' ' 817' ' ' LEU . 2.4 tt -136.24 127.87 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 8.7 ptp85 -128.76 145.47 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 814' ' ' LYS . 43.2 mt -119.64 123.28 43.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 833' ' ' VAL . . . . . 0.467 HG12 ' HD3' ' A' ' 841' ' ' LYS . 89.8 t -67.37 111.37 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 32.2 p -105.87 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -109.57 -175.02 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -58.63 -35.19 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 11.26 21.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 73.27 32.13 60.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -101.51 142.11 23.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.467 ' HD3' HG12 ' A' ' 833' ' ' VAL . 26.8 mtpp -76.85 -16.33 59.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 118.77 -42.51 1.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 62.6 mt -65.91 136.76 56.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.32 128.51 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 845' ' ' TYR . . . . . 0.493 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.8 m-85 -102.65 137.73 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 28.2 t -126.85 145.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.62 111.21 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 848' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' THR . 16.7 m-85 -92.25 -176.57 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -95.02 -43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.83 149.99 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.21 -52.94 62.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 78.6 p -44.78 -57.43 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -48.17 -48.32 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 1.049 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -61.49 -51.91 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 46.3 t -45.94 -54.32 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.59 -52.87 62.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.75 24.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.687 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -73.23 -49.23 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 41.2 mtm -58.52 -26.94 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -89.76 -60.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.692 ' CB ' HG21 ' A' ' 873' ' ' VAL . 36.3 mmm -55.23 -45.09 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 14.8 t70 -43.47 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 67.58 49.1 52.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.4 ' SD ' HD11 ' A' ' 866' ' ' ILE . 23.1 ptm -108.76 166.59 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 4.0 m -99.2 135.7 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.516 HD12 HG12 ' A' ' 871' ' ' ILE . 96.2 mt -149.37 111.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 60.34 38.55 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.0 46.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -157.92 116.5 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 8.8 mm -71.14 115.05 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.945 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -103.69 145.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -106.03 145.76 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.692 HG21 ' CB ' ' A' ' 861' ' ' MET . 54.7 t -127.84 143.18 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -147.6 148.58 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.555 HD13 HG21 ' A' ' 858' ' ' VAL . 47.7 mm -61.43 126.82 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 23.2 t -43.21 145.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -68.05 120.77 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 43.1 m -92.39 -54.41 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 172.75 146.28 5.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -40.11 5.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 118.62 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 82.7 p -57.82 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 19.5 m 42.37 41.96 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 3.4 t -117.61 132.92 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 75.35 92.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 27.4 p -76.91 105.56 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.821 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 44.8 t -60.5 136.29 58.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -159.84 46.74 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 10.5 p -154.11 138.01 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -123.82 132.22 53.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -98.6 -176.27 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 794' ' ' TYR . 1.0 OUTLIER -128.7 133.9 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 42.7 t -136.77 143.01 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 21.3 p -67.07 -6.07 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.2 t -135.69 136.45 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.1 114.62 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -110.12 -25.48 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -49.91 -34.02 19.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -79.93 166.59 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 1.027 HD21 ' HB1' ' A' ' 854' ' ' ALA . 9.5 mt -137.31 164.21 29.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.518 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 74.7 t80 -136.2 128.05 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 871' ' ' ILE . 7.9 mt -124.96 134.75 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.518 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 5.0 m -135.37 151.29 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.27 33.17 18.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 871' ' ' ILE . 30.7 mt -92.98 143.19 26.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.07 16.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.24 -45.27 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 66.6 m -39.06 -51.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.1 170.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 8.9 t -158.43 176.49 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -50.2 -44.05 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.95 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -50.7 -56.82 10.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.34 -65.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 818' ' ' GLU . 0.0 OUTLIER -38.29 -44.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -57.75 -59.26 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 57.6 mt -47.76 -39.37 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' CYS . . . . . 0.442 ' CB ' HG21 ' A' ' 827' ' ' VAL . 89.1 m -62.52 -49.61 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -50.25 -35.55 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.21 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' HIS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 81.7 m-70 -70.08 -58.21 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.41 -147.35 4.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 826' ' ' THR . . . . . 0.458 HG21 ' OE1' ' A' ' 849' ' ' GLU . 99.8 m -98.82 128.37 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.442 HG21 ' CB ' ' A' ' 821' ' ' CYS . 51.2 t -101.85 111.94 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -73.89 -38.59 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -169.82 144.74 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 831' ' ' ARG . 5.5 tt -118.65 139.21 51.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 831' ' ' ARG . . . . . 0.642 ' N ' HD23 ' A' ' 830' ' ' LEU . 18.4 mmt180 -122.88 138.02 54.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.558 HD23 ' HB1' ' A' ' 844' ' ' ALA . 23.7 mt -120.31 122.65 41.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.16 114.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 80.6 p -121.16 172.86 7.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 838' ' ' GLY . 5.9 p-10 -94.61 175.22 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -40.07 -42.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.02 34.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 41.64 45.57 4.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -96.88 142.52 24.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.22 5.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -103.85 -1.95 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.25 2.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.87 132.55 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.558 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -155.23 145.9 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -108.76 155.84 20.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.79 143.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -125.63 105.94 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -89.31 178.67 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' GLU . . . . . 0.458 ' OE1' HG21 ' A' ' 826' ' ' THR . 24.7 tt0 -73.86 -49.62 24.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -125.91 -175.63 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -78.98 -44.0 23.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 17.1 t -43.74 -64.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -44.28 -55.56 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 1.027 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.29 -53.93 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 7.7 t -51.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -47.67 -57.04 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 857' ' ' ALA . . . . . 0.451 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -52.44 -33.01 42.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 854' ' ' ALA . 69.6 t -72.3 -45.37 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 38.2 mtp -60.6 -29.29 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 860' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 824' ' ' HIS . 6.7 mmmm -88.25 -55.62 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.674 ' HB3' HG21 ' A' ' 873' ' ' VAL . 6.2 mmt -58.73 -46.33 87.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 7.4 t70 -43.21 112.16 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 65.01 49.85 60.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.0 ptm -110.59 156.01 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 130.27 42.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.407 HD12 HG12 ' A' ' 871' ' ' ILE . 97.1 mt -136.68 111.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 30.9 mttm 53.07 40.76 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 71.97 46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -156.67 114.97 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 870' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.2 mm -76.65 105.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -95.4 144.85 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -106.37 148.33 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.674 HG21 ' HB3' ' A' ' 861' ' ' MET . 64.5 t -134.44 148.5 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -160.24 155.25 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.2 mm -56.64 123.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.0 p -37.55 149.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -130.59 96.34 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 13.6 t -91.73 -57.51 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 96.41 83.67 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 167.9 23.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.6 m -66.51 103.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.5 t -80.91 83.27 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 31.0 t -136.52 134.1 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 15.3 m -60.8 135.34 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 169.1 -104.78 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 54.3 m 45.62 42.07 7.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.884 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 52.6 p -115.85 118.34 32.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -45.94 162.93 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.4 137.49 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.85 105.15 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -100.53 88.99 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -117.19 160.65 20.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 71.2 m -82.43 -47.86 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 52.1 m -118.26 124.11 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -46.38 100.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.32 167.17 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.58 109.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 801' ' ' HIS . 12.9 tttm -105.36 -47.4 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 801' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 800' ' ' LYS . 8.1 p-80 -38.01 -43.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -53.96 162.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 803' ' ' LEU . . . . . 0.825 HD22 ' CG2' ' A' ' 858' ' ' VAL . 8.6 mt -137.67 143.13 41.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 804' ' ' PHE . . . . . 0.768 ' CE1' HD22 ' A' ' 843' ' ' LEU . 13.0 t80 -113.89 117.42 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.645 HG12 HG13 ' A' ' 873' ' ' VAL . 2.1 mt -113.72 148.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 806' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 843' ' ' LEU . 64.5 p -149.48 156.73 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 86.4 27.56 29.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 871' ' ' ILE . 33.6 mt -89.49 143.89 31.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.88 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.254 . . . . 0.0 112.352 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -47.14 -41.44 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.9 m -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 51.1 t -53.19 149.41 7.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 813' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.87 170.38 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 814' ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' ' 832' ' ' LEU . 0.7 OUTLIER -53.43 -57.14 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -43.64 -58.99 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.82 -44.69 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 817' ' ' LEU . . . . . 0.577 HD23 HD21 ' A' ' 830' ' ' LEU . 11.9 tp -70.01 -35.21 74.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.73 -60.41 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -40.55 92.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 89.9 mt -66.24 -25.8 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' CYS . . . . . 0.436 ' HG ' ' HG ' ' A' ' 817' ' ' LEU . 75.8 m -87.88 -24.68 23.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -63.26 -41.44 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.2 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -61.99 -55.23 31.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.14 8.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 94.7 m -85.31 130.61 34.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 111.145 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 76.5 t -97.3 105.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -75.73 -39.29 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -163.21 158.98 22.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 830' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 817' ' ' LEU . 2.4 tt -147.96 125.4 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -128.77 147.95 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 814' ' ' LYS . 11.9 mt -115.52 125.21 52.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.56 82.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.4 p -90.57 179.62 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 838' ' ' GLY . 4.0 p-10 -96.36 175.61 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -40.36 -42.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 34.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 838' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 42.52 41.46 4.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -94.0 144.11 27.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.81 4.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -100.05 -6.13 26.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.53 -34.32 5.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' LEU . . . . . 0.768 HD22 ' CE1' ' A' ' 804' ' ' PHE . 31.2 mt -72.11 148.18 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -155.43 143.58 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -114.59 137.45 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.27 149.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -133.54 100.21 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -82.49 -176.85 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -91.26 -43.81 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -122.75 170.66 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.92 -40.83 60.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 18.3 m -50.02 -56.94 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.22 -52.64 51.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 854' ' ' ALA . . . . . 0.874 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -48.2 -47.59 35.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.0 t -57.2 -55.6 32.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.34 35.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 858' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 854' ' ' ALA . 24.6 t -73.96 -47.41 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 29.9 mmm -60.08 -17.19 37.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -101.5 -43.43 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 861' ' ' MET . . . . . 0.698 ' HB3' HG21 ' A' ' 873' ' ' VAL . 6.5 mtt -71.72 -50.67 28.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.0 p-10 -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.02 47.4 24.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 864' ' ' MET . . . . . 0.517 ' SD ' HD11 ' A' ' 866' ' ' ILE . 24.0 ptm -103.44 155.57 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.5 m -97.39 129.38 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 866' ' ' ILE . . . . . 0.517 HD11 ' SD ' ' A' ' 864' ' ' MET . 73.7 mt -138.37 105.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.23 48.62 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 63.27 48.33 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.58 113.09 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.4 mm -76.84 115.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.831 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -103.83 144.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -112.2 140.98 46.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 873' ' ' VAL . . . . . 0.698 HG21 ' HB3' ' A' ' 861' ' ' MET . 6.1 t -119.43 165.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.522 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -160.1 153.72 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 875' ' ' ILE . . . . . 0.474 HD13 HG21 ' A' ' 858' ' ' VAL . 49.5 mm -74.04 115.72 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 876' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.6 t -36.44 118.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -165.25 153.16 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 58.0 m -167.39 167.56 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -160.35 -95.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.18 27.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 86.7 p -96.8 -44.78 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 m -86.76 129.54 34.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.45 149.02 10.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 1.062 HD21 ' HB1' ' A' ' 854' ' ' ALA . 7.1 mt -127.45 150.17 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.625 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 56.3 t80 -123.77 128.33 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.677 ' CG2' HD13 ' A' ' 871' ' ' ILE . 5.4 mt -125.3 122.54 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 89.4 p -119.08 158.66 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . 0.673 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 78.56 50.4 6.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.935 HD23 HG21 ' A' ' 871' ' ' ILE . 30.6 mt -110.91 144.04 29.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -43.66 -37.61 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 812' ' ' CYS . 21.2 t -54.08 -46.67 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 811' ' ' SER . 45.6 t -37.71 142.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 816' ' ' GLU . 12.9 t -125.79 155.19 41.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.455 ' CA ' HD11 ' A' ' 832' ' ' LEU . 11.9 tttp -46.76 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 814' ' ' LYS . 34.8 mt-10 -35.53 -57.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . 0.503 ' H ' HG23 ' A' ' 813' ' ' THR . 27.6 mt-10 -43.56 -62.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 817' ' ' LEU . 11.4 tp -57.08 -36.27 70.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.38 -57.85 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.3 pt-20 -56.19 -38.32 70.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . 0.405 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 64.4 mt -71.93 -33.26 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 65.2 m -69.47 -51.27 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -61.52 -10.17 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -71.7 -24.21 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -95.22 -48.67 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.09 -154.1 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 96.4 m -84.86 124.57 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.59 101.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 828' ' ' LYS . 2.8 mmmp? -66.46 -47.26 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -161.96 153.16 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 831' ' ' ARG . 2.6 tt -139.58 131.53 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.462 ' N ' HD23 ' A' ' 830' ' ' LEU . 10.4 tpp180 -135.27 143.51 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.455 HD11 ' CA ' ' A' ' 814' ' ' LYS . 12.7 mt -115.14 119.59 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . 0.439 HG12 ' HD3' ' A' ' 841' ' ' LYS . 59.8 t -61.75 106.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 25.8 p -104.05 170.14 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 839' ' ' LYS . 51.4 t30 -96.75 177.79 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -58.21 -29.55 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.4 -3.3 57.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 91.15 17.71 49.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 835' ' ' ASN . 5.3 mmmm -91.55 143.68 28.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.439 ' HD3' HG12 ' A' ' 833' ' ' VAL . 28.6 mtpp -77.49 -3.98 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.18 -27.28 20.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.625 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 23.6 mt -81.82 143.09 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.0 23.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -108.06 147.42 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.94 151.08 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -131.25 123.04 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.1 172.53 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -88.11 -42.03 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -111.57 -179.09 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -95.4 -44.66 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 27.3 t -56.57 -41.39 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.8 -54.1 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 1.062 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -54.96 -45.83 74.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.1 t -51.64 -53.51 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.09 -51.76 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -56.68 -33.69 66.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.741 ' CG2' HD22 ' A' ' 803' ' ' LEU . 96.1 t -72.12 -38.49 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 2.2 mtp -67.8 -29.03 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -89.44 -57.95 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.585 ' CB ' HG21 ' A' ' 873' ' ' VAL . 27.9 mtt -55.46 -35.86 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 6.8 t70 -52.24 112.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.68 48.84 47.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.3 ptm -110.58 149.39 30.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.0 m -90.51 129.03 36.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.05 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 57.25 34.91 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 74.5 48.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -158.16 114.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -70.95 111.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.935 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -102.83 145.2 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 35.7 tttp -111.59 149.34 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 861' ' ' MET . 25.6 t -115.7 157.91 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.473 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -159.9 129.95 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.636 ' CD1' HG21 ' A' ' 858' ' ' VAL . 30.8 mm -61.82 115.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.466 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 52.0 p-80 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.466 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 37.9 mttp -61.81 150.61 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.7 mt -122.27 149.1 44.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -123.91 118.51 27.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 871' ' ' ILE . 2.8 mt -113.48 151.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 25.1 p -148.38 154.08 39.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.04 16.1 65.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.733 HD23 HG21 ' A' ' 871' ' ' ILE . 36.0 mt -74.65 142.81 77.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.17 18.88 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -46.34 -44.34 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 7.7 t -43.82 -51.8 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.6 154.6 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -141.61 -178.81 5.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.453 ' HG3' HD22 ' A' ' 830' ' ' LEU . 8.4 ttmm -54.89 -47.37 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.8 -60.27 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.66 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 818' ' ' GLU . 13.7 tp -44.99 -64.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 817' ' ' LEU . 40.3 tt0 -35.64 -57.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.71 -59.35 3.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 98.2 mt -48.04 -36.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 99.4 m -71.11 -36.6 72.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -61.19 -21.1 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.95 -41.94 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -70.18 -39.44 75.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -173.23 -150.99 7.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 40.8 m -93.95 126.29 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.52 106.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.44 -48.39 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.89 156.93 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.453 HD22 ' HG3' ' A' ' 814' ' ' LYS . 4.6 tt -145.35 129.04 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.417 ' N ' HD23 ' A' ' 830' ' ' LEU . 20.4 ttt180 -132.75 140.31 48.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.546 HD23 ' HB1' ' A' ' 844' ' ' ALA . 15.9 mt -115.84 137.23 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.02 94.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 1.3 p -95.07 176.68 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.09 173.09 8.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -56.17 -26.32 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.96 28.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 105.82 5.0 39.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -77.07 143.7 70.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 136.61 33.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -105.62 -14.0 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 106.32 -24.11 26.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.43 127.01 33.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . 0.546 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -139.04 137.44 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.403 ' CE2' ' OG ' ' A' ' 876' ' ' SER . 11.8 m-85 -108.53 142.66 38.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.11 151.14 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.5 109.69 9.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.52 -179.74 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' A' ' 849' ' ' GLU . 6.6 tm-20 -89.26 -48.17 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -108.82 164.85 12.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.87 -45.39 24.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 40.5 t -52.37 -53.26 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -50.11 -50.36 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -56.54 -50.11 72.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.9 t -49.66 -58.28 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.47 -55.03 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -52.66 -30.78 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.813 ' CG2' HD22 ' A' ' 803' ' ' LEU . 91.3 t -74.41 -40.05 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.72 -31.25 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -84.12 -55.99 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.793 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.3 mmm -57.45 -45.19 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -41.58 109.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 70.44 46.96 45.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 866' ' ' ILE . 6.8 ptm -106.99 154.93 20.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.1 m -92.0 134.79 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.633 HD11 ' SD ' ' A' ' 864' ' ' MET . 71.2 mt -148.71 108.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt 63.1 33.46 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 72.3 46.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -158.77 109.36 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.8 mp -66.34 108.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.782 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -93.22 139.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -104.0 142.03 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.793 HG21 ' CB ' ' A' ' 861' ' ' MET . 58.2 t -119.49 156.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.466 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -158.09 150.6 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.697 ' CD1' HG21 ' A' ' 858' ' ' VAL . 42.1 mm -70.72 116.98 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.403 ' OG ' ' CE2' ' A' ' 845' ' ' TYR . 2.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.37 149.52 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.801 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.0 mt -125.94 155.9 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.509 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 86.5 t80 -125.24 125.5 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.734 ' CG2' HD13 ' A' ' 871' ' ' ILE . 4.8 mt -122.41 132.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 4.5 t -127.27 167.17 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 69.84 40.47 75.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.85 HD23 HG21 ' A' ' 871' ' ' ILE . 94.0 mt -97.14 142.3 24.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -37.56 -35.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.6 m -53.39 -52.25 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.26 153.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 3.3 t -139.21 164.97 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.482 ' HB2' HD11 ' A' ' 832' ' ' LEU . 6.3 tmtt? -46.57 -55.48 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -46.35 -57.58 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 31.7 mt-10 -47.74 -59.36 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.67 HD23 HD21 ' A' ' 830' ' ' LEU . 13.6 tp -54.58 -38.2 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.13 -60.23 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.1 pt-20 -53.1 -39.25 63.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . 0.498 HG22 ' CE ' ' A' ' 861' ' ' MET . 80.3 mt -70.84 -36.66 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 67.6 m -68.22 -55.23 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -57.53 -12.44 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -68.2 -25.58 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.068 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -94.04 -59.3 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -139.07 -144.27 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 30.4 m -97.98 123.83 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.16 105.36 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.07 -50.05 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -148.88 152.18 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.67 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -144.43 132.71 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.502 ' N ' HD23 ' A' ' 830' ' ' LEU . 36.5 ttp180 -137.73 155.09 49.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 814' ' ' LYS . 14.4 mt -121.03 132.72 55.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . 0.472 HG12 ' HE2' ' A' ' 841' ' ' LYS . 42.6 t -72.74 106.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 76.3 p -112.72 -177.47 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -113.21 179.19 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -47.34 -24.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.28 -45.62 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 129.91 -6.77 6.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -65.38 143.3 98.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.16 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HE2' HG12 ' A' ' 833' ' ' VAL . 38.7 mtmt -80.8 -10.5 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.63 -21.26 26.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.509 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 32.8 mt -91.96 136.23 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.68 143.92 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -110.87 136.76 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.81 140.83 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -125.31 118.09 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -98.43 179.78 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -92.15 -45.69 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -120.76 162.61 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.69 -54.53 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.3 t -39.87 -60.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -48.8 -61.52 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.7 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -45.04 -59.62 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 3.4 t -39.79 -55.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -55.98 -51.99 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.73 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.801 ' CG2' HD22 ' A' ' 803' ' ' LEU . 74.8 t -73.22 -54.43 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.3 mtt -60.12 -20.83 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -92.35 -40.16 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.692 ' HB3' HG21 ' A' ' 873' ' ' VAL . 3.8 mtt -78.3 -56.78 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -36.6 117.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.7 29.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.495 ' HG2' HD11 ' A' ' 871' ' ' ILE . 23.1 ptm -108.09 153.26 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.5 m -95.55 133.79 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 91.8 mt -146.96 114.44 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt 57.67 36.7 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.6 47.81 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -156.78 110.93 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.02 113.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.85 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -100.74 143.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -105.91 154.22 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.692 HG21 ' HB3' ' A' ' 861' ' ' MET . 42.2 t -137.82 146.25 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.43 155.84 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 876' ' ' SER . 28.6 mm -61.74 117.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 875' ' ' ILE . 8.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -61.86 161.93 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 854' ' ' ALA . 8.6 mt -136.68 160.97 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 22.4 t80 -135.65 132.17 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.568 ' CG2' HD13 ' A' ' 871' ' ' ILE . 8.1 mt -125.77 149.77 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.402 ' HA ' HD23 ' A' ' 843' ' ' LEU . 78.1 p -143.84 150.5 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.96 41.84 9.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.726 HD23 HG21 ' A' ' 871' ' ' ILE . 39.5 mt -96.12 143.67 26.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 119.63 6.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -42.63 -34.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 46.4 m -54.21 -51.48 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 32.1 t -44.39 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.0 t -140.8 154.69 46.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 830' ' ' LEU . 19.2 ttpt -41.77 -57.52 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.8 -67.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.59 -66.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 818' ' ' GLU . 14.1 tp -46.1 -60.2 2.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 817' ' ' LEU . 29.0 tt0 -37.96 -60.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -48.33 -53.32 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.14 -38.67 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . 0.442 ' HB2' HG21 ' A' ' 827' ' ' VAL . 72.4 m -69.99 -35.05 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.06 -23.16 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.92 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -66.48 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.37 -144.8 4.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 93.5 m -99.87 122.69 43.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 111.134 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 821' ' ' CYS . 74.6 t -92.2 110.13 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -73.48 -50.65 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -150.18 160.62 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 831' ' ' ARG . 3.5 tt -146.18 131.08 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.482 ' N ' HD23 ' A' ' 830' ' ' LEU . 52.7 ttp180 -131.05 150.72 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 814' ' ' LYS . 17.7 mt -119.45 130.57 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . 0.474 HG12 ' HE3' ' A' ' 841' ' ' LYS . 82.6 t -71.15 117.05 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 35.9 p -120.96 -179.79 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.07 178.79 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -48.46 -21.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.98 -45.1 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.24 6.24 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -59.74 143.28 87.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.474 ' HE3' HG12 ' A' ' 833' ' ' VAL . 5.2 mtmp? -77.18 -9.24 58.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.33 -30.15 8.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.421 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 26.1 mt -80.71 148.3 30.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -154.71 151.98 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -117.55 148.17 42.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.05 144.73 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -127.09 110.97 13.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.13 174.96 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.91 -40.25 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -116.41 170.91 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -80.58 -53.18 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 16.8 t -46.59 -43.3 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -50.33 -56.32 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -50.09 -61.5 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -42.42 -54.0 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.38 -33.82 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.875 ' CG2' HD22 ' A' ' 803' ' ' LEU . 87.8 t -67.62 -40.68 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.22 -33.44 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 860' ' ' LYS . 0.6 OUTLIER -78.69 -58.34 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.808 ' CB ' HG21 ' A' ' 873' ' ' VAL . 27.4 mtt -59.75 -44.11 93.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -34.95 102.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 69.47 47.76 48.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 866' ' ' ILE . 20.8 ptm -102.97 162.82 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 6.3 m -99.38 132.87 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 864' ' ' MET . 66.3 mt -144.39 108.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 36.89 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 71.52 47.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -156.42 109.65 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.8 mp -70.52 102.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.771 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -91.06 143.89 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -105.92 143.9 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.808 HG21 ' CB ' ' A' ' 861' ' ' MET . 25.6 t -124.86 144.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -149.11 155.74 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 19.5 mm -66.34 113.99 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 11.2 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.543 ' CD2' ' HG3' ' A' ' 802' ' ' LYS . 16.3 p-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.543 ' HG3' ' CD2' ' A' ' 801' ' ' HIS . 64.9 mttt -56.87 156.05 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.803 HD22 ' CG2' ' A' ' 858' ' ' VAL . 7.9 mt -123.76 155.74 37.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.693 ' CE1' HD22 ' A' ' 843' ' ' LEU . 21.6 t80 -128.39 110.06 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.768 ' CG2' HD13 ' A' ' 871' ' ' ILE . 3.7 mt -106.39 136.72 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 93.2 p -131.35 150.96 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . 0.543 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 83.68 47.83 5.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.81 HD23 HG21 ' A' ' 871' ' ' ILE . 34.2 mt -99.67 143.41 26.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.82 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -43.8 -28.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 29.7 m -63.95 -47.19 81.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 42.7 t -43.17 149.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 5.0 t -138.86 156.96 46.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.531 ' HB2' HD11 ' A' ' 832' ' ' LEU . 30.6 ttmt -42.4 -59.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -41.19 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -38.11 -63.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 830' ' ' LEU . 14.2 tp -46.05 -53.35 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -47.74 -58.01 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -54.15 -37.41 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . 0.452 HG22 ' CE ' ' A' ' 861' ' ' MET . 60.6 mt -71.45 -32.57 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 91.8 m -75.14 -60.21 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -20.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.14 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -86.78 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -141.91 -150.52 5.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 99.6 m -100.69 117.58 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.36 101.26 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -64.61 -44.54 90.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -154.63 145.01 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 817' ' ' LEU . 2.7 tt -135.26 127.39 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.459 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 6.8 ptp85 -130.67 146.84 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 814' ' ' LYS . 39.9 mt -114.63 125.72 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.75 139.5 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -148.16 -175.87 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.426 ' ND2' ' HD3' ' A' ' 841' ' ' LYS . 27.8 m-20 -114.02 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -49.0 -36.38 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.97 25.01 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.47 32.61 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -89.42 140.84 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.83 3.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.426 ' HD3' ' ND2' ' A' ' 835' ' ' ASN . 5.3 mtmp? -88.67 13.5 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.62 7.95 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.693 HD22 ' CE1' ' A' ' 804' ' ' PHE . 36.2 mt -112.03 139.47 47.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.2 152.21 44.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.9 m-85 -120.81 138.65 53.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.72 150.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -134.51 113.86 12.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -98.31 178.7 4.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -48.57 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -120.73 -179.61 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.02 -52.83 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 3.1 t -38.22 -58.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.55 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.756 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -40.0 -44.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 45.0 t -57.57 -58.09 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.24 -54.66 12.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.13 54.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.803 ' CG2' HD22 ' A' ' 803' ' ' LEU . 72.5 t -70.72 -42.52 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.98 -24.0 67.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -93.47 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.865 ' CB ' HG21 ' A' ' 873' ' ' VAL . 17.5 mtt -56.92 -52.44 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 5.7 t0 -35.7 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.03 47.19 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 866' ' ' ILE . 25.6 ptm -110.86 148.8 31.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.3 m -91.76 126.79 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 864' ' ' MET . 90.5 mt -134.81 107.65 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 43.8 mttm 59.68 48.13 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 63.08 38.59 10.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -150.68 111.69 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.5 mt -74.68 119.09 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.81 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -107.7 146.97 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 805' ' ' ILE . 51.1 tttp -108.13 151.72 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.865 HG21 ' CB ' ' A' ' 861' ' ' MET . 15.4 t -132.56 140.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.28 144.93 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 19.8 mm -56.01 119.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -72.07 154.66 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.803 HD21 ' HB1' ' A' ' 854' ' ' ALA . 14.1 mt -126.53 146.7 50.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.53 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 49.9 t80 -120.2 111.8 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 871' ' ' ILE . 3.7 mt -109.73 144.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.445 ' HB3' ' CD2' ' A' ' 843' ' ' LEU . 95.7 p -146.68 154.3 41.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.14 54.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 871' ' ' ILE . 46.0 mt -80.26 142.76 55.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.85 52.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.8 -38.73 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 22.9 m -53.47 -50.24 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.7 152.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.444 HG22 ' OE1' ' A' ' 816' ' ' GLU . 9.7 t -157.46 173.16 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.423 ' HG3' HD22 ' A' ' 830' ' ' LEU . 76.3 tttt -41.31 -58.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -39.02 -62.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . 0.444 ' OE1' HG22 ' A' ' 813' ' ' THR . 1.5 mp0 -55.15 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 830' ' ' LEU . 11.6 tp -37.17 -62.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -43.77 -56.48 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -56.33 -30.54 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 55.2 mt -83.02 -25.36 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.65 -55.12 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -14.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.99 88.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 857' ' ' ALA . 87.0 m-70 -83.46 -49.08 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -145.72 -136.95 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.4 m -111.48 133.3 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 99.7 t -98.04 105.0 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . 0.422 ' HD2' ' CD ' ' A' ' 849' ' ' GLU . 6.0 mmpt? -74.11 -44.43 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -151.08 148.53 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.2 tt -142.09 132.12 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.572 ' N ' HD23 ' A' ' 830' ' ' LEU . 26.3 ttt85 -136.0 148.48 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.71 125.71 51.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.25 90.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 33.1 p -103.99 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -92.83 -176.93 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -47.8 -39.94 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.09 33.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 43.5 35.34 2.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -87.47 143.58 34.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -93.53 -7.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.28 -19.25 49.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.53 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 84.0 mt -90.25 149.18 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.4 151.3 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -121.37 137.23 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 20.7 t -120.85 150.84 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -134.0 102.67 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -86.05 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 828' ' ' LYS . 7.0 tp10 -91.72 -39.47 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -124.71 161.54 26.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.02 -45.45 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 t -42.83 -60.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -49.14 -62.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.803 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -39.95 -47.91 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.6 t -59.1 -60.14 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -50.65 -55.7 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 824' ' ' HIS . . . -47.86 -40.18 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.773 ' CG2' HD22 ' A' ' 803' ' ' LEU . 42.1 t -72.23 -52.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -55.76 -16.83 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -103.52 -34.6 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.665 ' HB3' HG21 ' A' ' 873' ' ' VAL . 4.9 mtt -78.73 -54.44 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 861' ' ' MET . 9.0 p-10 -35.05 106.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.39 43.34 8.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 22.1 ptm -109.22 153.29 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -90.93 134.24 34.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 76.7 mt -146.38 105.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 66.45 36.16 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 70.72 42.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -155.09 114.11 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.0 mm -70.92 110.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.874 HG21 HD23 ' A' ' 808' ' ' LEU . 0.9 OUTLIER -98.29 144.54 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -104.86 154.09 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.665 HG21 ' HB3' ' A' ' 861' ' ' MET . 25.3 t -134.51 149.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.75 158.73 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.0 mm -68.38 115.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 875' ' ' ILE . 3.5 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.885 0.374 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.562 ' O ' HD23 ' A' ' 803' ' ' LEU . 17.2 mtmt -61.85 174.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 854' ' ' ALA . 10.4 mt -140.83 148.31 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.87 ' CE1' HD22 ' A' ' 843' ' ' LEU . 12.4 t80 -122.53 108.17 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.599 ' CG2' HD13 ' A' ' 871' ' ' ILE . 2.8 mt -102.99 141.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.407 ' HA ' HD23 ' A' ' 843' ' ' LEU . 33.1 t -137.54 164.3 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 72.78 44.41 38.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.991 HD23 HG21 ' A' ' 871' ' ' ILE . 23.6 mt -106.91 142.3 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.49 14.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -40.33 -33.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 20.5 m -52.82 -54.17 38.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.1 t -44.89 155.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 1.7 t -139.13 171.51 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.81 ' HG2' HD22 ' A' ' 830' ' ' LEU . 1.4 tmmt? -56.24 -54.73 41.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -43.1 -66.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.74 -58.83 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 817' ' ' LEU . 13.1 tp -49.41 -62.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 830' ' ' LEU . 11.7 tm-20 -40.96 -59.98 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -46.85 -38.97 11.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 50.6 mt -74.27 -28.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.64 -55.86 5.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -52.08 -30.67 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.14 -33.12 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.02 -52.56 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.46 -148.39 4.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 81.4 m -97.69 122.55 40.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.2 t -88.42 101.56 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 828' ' ' LYS . 0.0 OUTLIER -68.96 -43.11 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -163.74 148.34 10.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 814' ' ' LYS . 4.2 tt -133.78 132.41 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.501 ' N ' HD23 ' A' ' 830' ' ' LEU . 1.4 ptm85 -134.81 148.95 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 814' ' ' LYS . 78.3 mt -108.95 150.8 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 12.9 t -105.78 84.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -100.89 -178.75 3.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 837' ' ' ALA . 3.5 p-10 -96.71 -176.21 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -49.24 -38.28 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 835' ' ' ASN . . . -93.96 34.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 44.0 42.6 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.05 143.78 26.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.06 17.38 23.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 68.22 21.69 74.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.87 HD22 ' CE1' ' A' ' 804' ' ' PHE . 25.3 mt -127.37 137.23 52.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -142.42 156.57 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 8.3 m-85 -128.2 130.97 48.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.7 148.24 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -128.31 119.98 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -106.15 176.59 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.97 -50.48 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -108.55 175.11 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.02 -37.58 17.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 33.5 t -56.91 -49.13 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.96 -55.14 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -51.96 -52.16 52.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.7 t -48.51 -60.26 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -45.74 -55.41 6.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.97 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.765 ' CG2' HD22 ' A' ' 803' ' ' LEU . 55.6 t -74.19 -37.96 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.09 -31.23 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -85.32 -60.62 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.645 ' CB ' HG21 ' A' ' 873' ' ' VAL . 36.3 mtt -53.21 -43.25 67.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 8.5 t0 -46.53 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.49 40.83 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.447 ' HE1' HD11 ' A' ' 866' ' ' ILE . 22.7 ptm -103.41 144.13 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.1 m -84.36 126.89 33.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.66 HD12 HG12 ' A' ' 871' ' ' ILE . 51.6 mt -135.07 119.02 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 49.72 45.33 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 63.71 49.28 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -162.16 112.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.18 115.23 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.991 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -104.66 139.72 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -105.23 156.09 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.645 HG21 ' CB ' ' A' ' 861' ' ' MET . 30.6 t -129.98 138.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.5 ' HB3' ' HD2' ' A' ' 804' ' ' PHE . . . -138.81 135.29 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.53 HD13 HG21 ' A' ' 858' ' ' VAL . 30.7 mm -56.8 119.43 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.899 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 46.4 p-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 54.8 mttt -46.25 159.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 1.046 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.3 mt -138.29 157.67 45.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.729 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 1.2 t80 -132.54 135.87 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.536 ' CG2' HD13 ' A' ' 871' ' ' ILE . 6.8 mt -130.16 132.61 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 98.6 p -128.5 151.63 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.02 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.927 HD23 HG21 ' A' ' 871' ' ' ILE . 27.1 mt -97.25 143.38 26.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.97 11.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -40.53 -34.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -52.82 59.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.22 159.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.0 t -147.81 165.96 28.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.464 ' N ' HD11 ' A' ' 832' ' ' LEU . 0.2 OUTLIER -47.13 -53.48 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -45.44 -64.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -44.63 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 817' ' ' LEU . 12.5 tp -43.53 -62.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -43.68 -53.11 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -52.05 -39.49 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 40.3 mt -75.87 -29.43 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 827' ' ' VAL . 62.1 m -70.37 -52.48 22.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . 0.407 ' HA ' HG23 ' A' ' 827' ' ' VAL . 37.1 pttt -57.85 -13.49 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.15 -31.24 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -84.27 -41.27 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -159.45 -133.8 1.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 56.0 m -111.72 114.34 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 111.181 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 821' ' ' CYS . 59.6 t -79.31 110.44 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . 0.409 ' CB ' ' OE1' ' A' ' 847' ' ' GLU . 28.1 mmmt -80.53 -45.57 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -158.39 142.32 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.8 tt -136.53 137.21 40.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.739 ' N ' HD23 ' A' ' 830' ' ' LEU . 10.7 ptp180 -138.35 147.63 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 814' ' ' LYS . 93.4 mt -111.55 143.93 41.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.1 t -90.49 128.09 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 34.7 p -120.28 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 837' ' ' ALA . 1.8 p30 -117.92 176.97 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -50.51 -18.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.404 ' HB3' ' OD1' ' A' ' 835' ' ' ASN . . . -90.12 -46.85 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 133.83 -36.43 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -51.13 158.29 1.29 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.15 5.51 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -72.92 -11.37 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.19 -38.88 3.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.729 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 28.3 mt -69.96 136.43 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -135.52 138.23 42.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.478 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -110.45 141.4 43.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 847' ' ' GLU . 67.2 t -129.24 153.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 846' ' ' VAL . 3.4 tm-20 -138.54 108.49 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -90.33 -175.98 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.63 -47.87 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 43.0 p30 -122.56 -177.51 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.85 -44.13 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 8.1 t -47.02 -63.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.2 -52.59 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 1.046 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -48.92 -61.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -44.32 -61.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -44.63 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.64 78.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.631 ' CG2' HD22 ' A' ' 803' ' ' LEU . 55.2 t -65.38 -48.25 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 21.0 mmm -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -71.42 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.519 ' CB ' HG21 ' A' ' 873' ' ' VAL . 16.2 mtp -54.27 -34.22 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -49.79 114.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.56 61.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.437 ' HG2' HD11 ' A' ' 871' ' ' ILE . 19.3 ptm -107.04 162.73 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.355 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.2 m -95.34 137.1 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.485 HD12 HG12 ' A' ' 871' ' ' ILE . 95.5 mt -150.43 108.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 59.6 42.51 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 66.02 48.32 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -161.75 114.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.2 mm -73.07 108.02 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.927 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -92.63 151.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -114.37 148.91 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 861' ' ' MET . 92.6 t -119.58 158.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -159.56 146.18 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 23.4 mm -59.61 126.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 847' ' ' GLU . 39.8 p-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -79.16 153.95 29.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.824 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.5 mt -131.42 146.43 52.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.431 ' CE2' HD22 ' A' ' 843' ' ' LEU . 1.4 t80 -119.42 127.39 53.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.636 HG21 HD21 ' A' ' 808' ' ' LEU . 2.7 mt -121.13 146.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 9.7 t -146.05 161.33 40.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 76.66 22.4 72.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.642 HD23 HG21 ' A' ' 871' ' ' ILE . 40.7 mt -81.64 142.39 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 125.81 12.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -44.96 -29.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 26.2 t -55.26 -51.93 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 25.4 t -51.73 161.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 814' ' ' LYS . 12.0 t -145.65 163.87 33.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.405 ' N ' HD11 ' A' ' 832' ' ' LEU . 15.2 tttm -37.52 -53.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 818' ' ' GLU . 36.1 mt-10 -49.94 -71.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.08 -58.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 817' ' ' LEU . 6.0 tp -58.34 -29.13 65.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' GLU . 10.2 tm-20 -72.1 -59.53 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -49.75 -39.83 38.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 70.9 mt -68.33 -46.24 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 62.2 m -57.17 -56.95 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . 0.44 ' HA ' HG23 ' A' ' 827' ' ' VAL . 0.1 OUTLIER -52.35 -17.97 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -58.99 -40.14 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -76.77 -60.97 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -135.73 -133.46 3.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 19.3 m -110.55 123.24 49.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 822' ' ' LYS . 72.3 t -91.23 103.91 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -71.67 -54.58 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -144.35 148.09 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.8 tt -139.24 128.32 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.491 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.7 ptp180 -133.29 151.25 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 814' ' ' LYS . 37.8 mt -114.1 126.09 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 95.1 t -77.01 100.22 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 22.9 p -111.45 -175.79 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.0 p-10 -100.7 -178.63 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -45.36 -39.69 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.36 30.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 45.44 33.56 4.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -86.42 143.19 36.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.16 10.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.81 -7.73 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.29 -23.6 31.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.431 HD22 ' CE2' ' A' ' 804' ' ' PHE . 48.4 mt -81.39 144.68 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -147.12 150.98 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.5 m-85 -120.67 142.91 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 847' ' ' GLU . 44.2 t -129.71 153.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 801' ' ' HIS . 0.0 OUTLIER -138.25 112.18 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.08 170.89 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -84.62 -50.34 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -105.41 157.36 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -72.58 -48.21 41.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 m -45.17 -52.85 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.817 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.56 -49.78 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 23.2 t -52.78 -58.65 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.73 -56.81 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.81 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.824 ' CG2' HD22 ' A' ' 803' ' ' LEU . 99.9 t -72.88 -49.65 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.8 mtp -55.91 -16.93 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.92 -49.53 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.515 ' HB3' HG21 ' A' ' 873' ' ' VAL . 7.8 mtt -65.54 -49.61 68.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.3 p-10 -34.52 108.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.06 48.48 20.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 28.6 ptm -108.56 147.92 31.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.1 m -87.15 132.17 33.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 82.6 mt -142.87 109.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? 58.7 41.7 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 67.05 39.94 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -151.29 106.19 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -68.36 115.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.791 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.21 145.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -111.13 141.44 44.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 861' ' ' MET . 25.1 t -121.45 152.73 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.04 145.53 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.34 121.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.445 ' N ' ' HD1' ' A' ' 801' ' ' HIS . 2.8 p-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -61.83 145.78 51.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' A' ' 858' ' ' VAL . 14.8 mt -117.31 151.66 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -122.38 110.51 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.748 HG23 HG22 ' A' ' 873' ' ' VAL . 4.5 mt -109.0 136.52 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 78.0 p -140.28 155.69 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.48 -3.79 66.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.692 HD23 HG21 ' A' ' 871' ' ' ILE . 35.6 mt -61.72 143.45 93.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 164.75 33.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -75.77 -19.09 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 58.8 m -72.76 -41.06 65.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.2 154.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -142.07 158.07 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 815' ' ' GLU . 20.8 ttmt -39.2 -64.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 814' ' ' LYS . 43.9 mt-10 -36.0 -65.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -43.25 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 817' ' ' LEU . 11.3 tp -42.19 -49.78 4.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -52.42 -58.45 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -49.56 -45.34 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 33.9 mt -68.9 -25.84 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.57 -56.59 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -55.82 -15.58 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.13 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -87.49 -56.8 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 853' ' ' GLN . . . -137.72 -134.64 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 85.9 m -115.28 119.33 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.79 115.0 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.55 -36.78 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.04 145.08 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 3.0 tt -140.25 128.9 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 9.8 ptp180 -131.89 147.6 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 92.3 mt -113.59 146.23 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 16.8 t -91.21 133.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 30.9 p -136.53 -178.21 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.569 ' OD1' ' HB3' ' A' ' 837' ' ' ALA . 3.5 p30 -119.6 -176.77 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.81 -14.18 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.569 ' HB3' ' OD1' ' A' ' 835' ' ' ASN . . . -92.23 -36.71 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 113.47 -25.28 11.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -60.37 143.94 88.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.8 18.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.386 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -91.33 -4.51 55.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 107.84 -38.48 3.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.53 139.99 57.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.7 157.2 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.448 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.5 m-85 -128.12 139.89 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 847' ' ' GLU . 26.2 t -129.87 158.2 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 846' ' ' VAL . 13.4 tt0 -139.6 118.61 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . 0.422 ' CE1' HD11 ' A' ' 803' ' ' LEU . 13.3 m-85 -95.63 -175.15 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -101.96 -37.51 8.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.82 172.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -83.8 -46.23 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.4 t -56.06 -50.15 71.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . 0.426 ' OE1' ' CA ' ' A' ' 825' ' ' GLY . 33.0 mt-30 -50.68 -55.25 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.551 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -53.23 -55.96 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.9 t -45.7 -58.78 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -51.65 -52.03 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -48.68 -40.75 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.592 ' CG2' HD22 ' A' ' 803' ' ' LEU . 46.8 t -67.85 -45.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.6 -18.02 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.764 ' HB3' HG21 ' A' ' 873' ' ' VAL . 5.1 mtt -82.16 -56.02 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 1.7 p-10 -34.42 113.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 75.26 44.04 23.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.553 ' CE ' HD11 ' A' ' 866' ' ' ILE . 28.3 ptm -108.09 154.09 22.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . 0.4 ' C ' HG13 ' A' ' 866' ' ' ILE . 7.5 m -97.43 135.23 39.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.553 HD11 ' CE ' ' A' ' 864' ' ' MET . 60.3 mt -144.08 121.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt 49.53 38.65 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 69.7 49.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -161.66 111.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -72.64 117.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.754 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.2 pp -109.03 148.65 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -107.48 160.04 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 861' ' ' MET . 30.7 t -138.4 156.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.444 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -162.15 154.72 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 876' ' ' SER . 34.1 mm -58.31 124.29 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 875' ' ' ILE . 14.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 39.5 p-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 3.5 mtpm? -57.88 161.53 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.678 HD22 HG22 ' A' ' 858' ' ' VAL . 19.9 mt -130.65 151.3 51.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.51 ' O ' ' CD2' ' A' ' 804' ' ' PHE . 16.1 t80 -126.57 98.41 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 871' ' ' ILE . 5.0 mt -95.65 142.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.467 ' CB ' HD23 ' A' ' 843' ' ' LEU . 81.3 p -143.3 150.61 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.5 14.7 55.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.952 HD23 HG21 ' A' ' 871' ' ' ILE . 70.0 mt -75.26 141.77 74.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.76 31.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.42 -36.34 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 73.3 m -51.71 -50.87 59.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 18.6 t -51.96 159.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -142.95 165.11 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.609 ' HB2' HD11 ' A' ' 832' ' ' LEU . 17.7 ttmt -38.39 -58.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -44.39 -67.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -39.64 -64.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.1 tp -47.2 -57.4 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -46.86 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -43.03 -40.2 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . 0.566 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 64.7 mt -72.17 -42.63 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.37 -56.83 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.23 -17.74 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -83.38 -57.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -137.67 -130.49 2.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . 0.438 ' N ' ' OE1' ' A' ' 853' ' ' GLN . 58.7 m -120.16 123.12 42.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.93 108.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.06 -37.66 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -165.67 140.27 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.5 tt -126.08 133.2 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.512 ' N ' HD23 ' A' ' 830' ' ' LEU . 2.9 tpm_? -129.5 147.0 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 814' ' ' LYS . 15.6 mt -115.61 124.85 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.2 100.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.9 p -112.62 165.06 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 835' ' ' ASN . 0.2 OUTLIER -101.31 -174.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 -60.18 -10.15 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -95.83 2.26 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 62.21 27.52 69.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . 0.485 ' H ' ' ND2' ' A' ' 835' ' ' ASN . 26.9 mmtt -110.8 143.9 29.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.8 8.51 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.75 2.3 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 15.53 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 90.54 -32.11 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 806' ' ' SER . 23.3 mt -79.31 139.59 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.12 33.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -118.3 137.24 53.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.61 142.61 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -124.58 124.97 43.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.89 -177.61 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.17 -47.86 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -123.68 -175.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -84.34 -45.04 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 9.6 t -42.58 -57.36 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 826' ' ' THR . 34.0 mt-30 -53.47 -59.03 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -43.29 -47.67 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.1 t -56.21 -57.51 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' A' ' 856' ' ' GLN . 1.3 tm0? -50.44 -56.58 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -50.75 -34.79 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 854' ' ' ALA . 98.5 t -71.65 -42.79 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.8 mtt -65.33 -22.01 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . 0.4 ' HA ' ' CE ' ' A' ' 860' ' ' LYS . 0.0 OUTLIER -94.27 -60.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.856 ' CB ' HG21 ' A' ' 873' ' ' VAL . 7.0 mtt -55.99 -55.14 36.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 9.7 t70 -34.54 98.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.21 45.87 6.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.494 ' CE ' HD11 ' A' ' 866' ' ' ILE . 17.0 ptm -110.29 146.07 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.41 138.19 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.494 HD11 ' CE ' ' A' ' 864' ' ' MET . 81.5 mt -147.55 110.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 55.35 45.31 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 64.59 45.42 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -158.0 110.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.41 120.69 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.952 HG21 HD23 ' A' ' 808' ' ' LEU . 1.2 pp -109.18 143.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -105.81 154.07 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.856 HG21 ' CB ' ' A' ' 861' ' ' MET . 39.8 t -131.06 134.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -134.18 147.31 50.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.697 ' CD1' HG21 ' A' ' 858' ' ' VAL . 13.2 mm -67.8 105.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 11.4 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.401 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 50.6 mttt -62.65 148.94 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.974 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.7 mt -117.51 157.7 25.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.436 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 55.7 t80 -136.79 116.83 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.758 ' CG2' HD13 ' A' ' 871' ' ' ILE . 11.5 mt -111.71 144.25 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 3.3 p -137.6 150.44 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . 0.52 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 85.5 42.17 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 871' ' ' ILE . 69.9 mt -97.78 144.05 27.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.19 27.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -50.76 -26.93 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.0 m -63.01 -50.92 68.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 33.6 t -41.41 162.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.8 t -158.37 157.83 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 815' ' ' GLU . 2.2 tppt? -35.76 -65.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 814' ' ' LYS . 22.0 mt-10 -34.59 -63.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -49.69 -66.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.438 HD23 HD21 ' A' ' 830' ' ' LEU . 10.3 tp -46.71 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 817' ' ' LEU . 5.1 tt0 -37.37 -50.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -53.98 -42.96 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 73.5 mt -69.57 -34.37 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.69 -59.26 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -13.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -69.62 -36.3 76.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -83.63 -54.0 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -146.9 -150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.9 m -90.52 133.64 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 64.6 t -102.92 109.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -80.41 -44.05 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -154.35 152.79 30.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.438 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -148.53 125.34 11.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.494 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 12.7 ptm180 -129.47 148.36 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 834' ' ' THR . 26.5 mt -119.12 120.02 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . 0.472 HG12 ' HD3' ' A' ' 841' ' ' LYS . 39.0 t -61.98 92.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 832' ' ' LEU . 50.3 p -94.17 -176.05 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -108.9 -179.12 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.9 mtm-85 -53.63 -29.38 37.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.09 -28.08 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 120.56 -8.06 11.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 143.84 84.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.65 8.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HD3' HG12 ' A' ' 833' ' ' VAL . 49.5 mtpt -84.23 -15.95 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.85 7.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.436 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 15.2 mt -82.38 124.99 30.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -126.96 132.85 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.3 m-85 -106.61 137.6 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 847' ' ' GLU . 47.5 t -122.6 154.43 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 846' ' ' VAL . 3.4 tt0 -137.43 110.21 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -92.1 -178.23 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.63 -34.27 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.75 152.6 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.85 -55.61 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 52.2 m -38.96 -58.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -47.7 -63.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.974 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -43.29 -53.35 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -46.72 -62.94 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -50.76 -56.17 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 861' ' ' MET . . . -46.77 -34.01 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.677 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -76.06 -49.14 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 56.0 mmm -57.48 -19.52 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -101.23 -44.72 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.648 ' CB ' HG21 ' A' ' 873' ' ' VAL . 2.4 mmt -68.94 -51.84 35.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.9 OUTLIER -40.5 114.26 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.48 45.62 36.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 866' ' ' ILE . 20.9 ptm -107.63 154.64 21.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.8 m -95.86 118.66 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.516 HD11 ' SD ' ' A' ' 864' ' ' MET . 86.4 mt -125.63 109.63 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.97 37.13 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 72.23 45.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -154.59 105.38 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.9 mp -65.78 107.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.812 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -98.66 146.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . 0.653 ' NZ ' ' HB2' ' A' ' 874' ' ' ALA . 21.8 tttm -106.68 147.52 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.648 HG21 ' CB ' ' A' ' 861' ' ' MET . 59.2 t -123.68 149.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.653 ' HB2' ' NZ ' ' A' ' 872' ' ' LYS . . . -155.27 146.59 22.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 49.4 mm -60.21 115.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.6 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 33.2 p-80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.352 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 48.0 mttt -54.38 160.85 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.895 HD22 ' CG2' ' A' ' 858' ' ' VAL . 11.5 mt -133.99 150.46 51.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.791 ' CE1' HD22 ' A' ' 843' ' ' LEU . 14.3 t80 -122.11 101.78 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 871' ' ' ILE . 2.5 mt -95.86 138.06 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 7.5 t -138.94 160.25 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.7 -10.84 73.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.71 141.6 13.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -53.46 -27.5 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.5 t -71.39 -37.92 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 17.1 t -39.51 141.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.596 HG22 ' CG ' ' A' ' 816' ' ' GLU . 6.1 t -128.11 154.3 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -44.93 -58.64 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.75 -61.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . 0.596 ' CG ' HG22 ' A' ' 813' ' ' THR . 30.4 mm-40 -40.8 -65.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.457 HD23 HD21 ' A' ' 830' ' ' LEU . 12.2 tp -48.88 -57.32 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -41.79 -56.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.74 -43.1 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 84.2 mt -67.8 -36.22 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 30.8 m -68.53 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -52.75 -17.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -69.14 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -88.89 -51.3 5.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.7 6.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . 0.493 HG22 ' CE ' ' A' ' 828' ' ' LYS . 66.4 m -93.29 116.39 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.148 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.52 117.76 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . 0.493 ' CE ' HG22 ' A' ' 826' ' ' THR . 6.4 mmpt? -88.72 -40.71 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -160.39 145.57 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.457 HD21 HD23 ' A' ' 817' ' ' LEU . 2.5 tt -135.82 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 831' ' ' ARG . 0.0 OUTLIER -122.13 149.61 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 65.9 mt -113.37 133.75 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . 0.449 ' HB ' ' CB ' ' A' ' 843' ' ' LEU . 72.1 t -89.92 104.74 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 16.1 p -113.98 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.71 -179.78 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -48.79 -37.2 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -97.03 36.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.73 24.23 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -78.58 143.75 64.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 121.58 8.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.286 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.07 9.87 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 69.68 25.59 75.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.791 HD22 ' CE1' ' A' ' 804' ' ' PHE . 33.2 mt -128.4 144.15 51.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.89 141.8 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -107.6 145.01 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 81.3 t -124.66 150.14 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.69 114.59 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -98.07 177.18 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.86 -43.06 9.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -120.52 160.54 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.1 -60.41 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 75.0 m -38.31 -50.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -53.8 -52.97 58.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.752 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -50.73 -60.58 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 858' ' ' VAL . 7.6 t -44.37 -61.85 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -41.26 -52.48 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.895 ' CG2' HD22 ' A' ' 803' ' ' LEU . 98.6 t -71.19 -46.16 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 12.0 mtp -64.64 -51.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.48 -60.65 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.725 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.7 mtp -58.4 -44.74 89.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.8 OUTLIER -35.7 110.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.37 50.07 40.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 21.0 ptm -110.28 152.38 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 5.8 m -89.57 134.45 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.666 HD12 HG12 ' A' ' 871' ' ' ILE . 49.0 mt -141.4 109.64 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 55.28 40.27 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 71.44 40.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -149.59 112.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.9 mp -72.07 106.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.794 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -97.55 151.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . 0.467 ' N ' HD12 ' A' ' 871' ' ' ILE . 19.0 ttmm -116.02 148.23 40.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.725 HG21 ' CB ' ' A' ' 861' ' ' MET . 78.5 t -123.08 119.06 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -120.38 154.81 34.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.76 124.75 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 876' ' ' SER . 32.2 mmtt -67.81 152.73 45.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.725 HD22 HG22 ' A' ' 858' ' ' VAL . 13.7 mt -124.97 153.2 43.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.724 ' CE1' HD22 ' A' ' 843' ' ' LEU . 13.8 t80 -129.2 109.15 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.4 HD12 HD21 ' A' ' 817' ' ' LEU . 4.2 mt -103.85 135.49 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 91.9 p -134.19 160.14 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.06 76.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.765 HD23 HG21 ' A' ' 871' ' ' ILE . 40.8 mt -55.64 142.7 61.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -97.83 -38.88 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 812' ' ' CYS . 16.0 m -56.22 -47.73 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 811' ' ' SER . 4.0 t -35.17 152.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 816' ' ' GLU . 5.2 t -145.46 156.59 43.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -41.94 -62.03 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.55 -60.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . 0.424 ' H ' HG23 ' A' ' 813' ' ' THR . 55.1 mm-40 -43.25 -71.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.4 HD21 HD12 ' A' ' 805' ' ' ILE . 12.5 tp -44.97 -57.97 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.468 ' HB2' HD13 ' A' ' 830' ' ' LEU . 4.9 tm-20 -42.68 -49.73 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.37 -38.18 76.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.94 -32.75 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 40.5 m -71.06 -54.86 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . 0.604 ' HA ' HG23 ' A' ' 827' ' ' VAL . 0.0 OUTLIER -55.57 -16.79 4.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.73 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -76.69 -52.14 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.47 -157.38 7.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 90.1 m -83.64 122.66 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 822' ' ' LYS . 94.0 t -91.3 113.95 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -82.21 -49.67 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -151.65 157.8 42.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 818' ' ' GLU . 2.8 tt -147.56 125.42 11.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -127.92 151.99 48.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 844' ' ' ALA . 67.6 mt -118.53 126.47 52.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . 0.495 HG12 ' HD3' ' A' ' 841' ' ' LYS . 41.6 t -77.6 127.98 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 7.4 p -131.88 -177.4 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -101.51 -179.71 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -48.34 -31.54 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -100.49 33.12 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 49.95 29.17 13.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -86.99 143.57 35.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.495 ' HD3' HG12 ' A' ' 833' ' ' VAL . 33.5 mtpt -100.07 -11.53 20.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.01 13.94 41.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.724 HD22 ' CE1' ' A' ' 804' ' ' PHE . 41.2 mt -123.18 139.36 54.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -148.39 154.73 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.15 138.34 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 28.8 t -123.41 142.42 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -122.82 124.38 43.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.94 -179.8 4.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -85.27 -42.72 14.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -129.34 -179.19 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -81.57 -51.27 8.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 37.0 t -38.63 -59.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -50.0 -56.75 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -45.84 -59.18 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -43.6 -57.47 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.48 -54.2 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.37 -34.21 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.725 HG22 HD22 ' A' ' 803' ' ' LEU . 59.2 t -73.08 -46.85 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.3 mmt -61.49 -23.21 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -91.88 -61.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.548 ' CB ' HG21 ' A' ' 873' ' ' VAL . 29.0 mtt -52.79 -35.79 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.575 ' HA ' HG23 ' A' ' 873' ' ' VAL . 3.2 t70 -51.56 122.6 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.48 92.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.565 ' HG2' HD11 ' A' ' 871' ' ' ILE . 23.5 ptm -109.57 146.81 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.7 m -89.53 129.92 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.448 HD12 HG12 ' A' ' 871' ' ' ILE . 96.4 mt -137.06 111.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp 58.36 36.9 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 72.26 48.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -158.8 107.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.3 mm -67.24 106.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.765 HG21 HD23 ' A' ' 808' ' ' LEU . 1.3 pp -96.75 149.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -111.9 156.84 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' A' ' 862' ' ' ASP . 11.9 t -126.24 149.13 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.03 142.68 22.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 876' ' ' SER . 47.3 mm -57.11 118.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.423 ' HB3' ' C ' ' A' ' 802' ' ' LYS . 3.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.506 ' N ' ' HD1' ' A' ' 801' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -62.81 165.32 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 858' ' ' VAL . 33.2 mt -134.63 145.87 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.529 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 42.1 t80 -121.85 104.82 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.543 HG23 HG22 ' A' ' 873' ' ' VAL . 3.8 mt -101.92 138.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.529 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 1.7 m -137.29 144.66 42.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . 0.412 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 91.93 40.66 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.82 HD23 HG21 ' A' ' 871' ' ' ILE . 48.1 mt -101.87 144.11 27.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.12 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -47.52 -35.47 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 31.7 m -54.28 -50.79 66.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.24 151.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.9 t -138.18 157.53 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.3 OUTLIER -36.13 -64.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 818' ' ' GLU . 79.0 mm-40 -36.16 -68.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 13.7 mt-10 -37.41 -62.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.433 HD21 HD12 ' A' ' 805' ' ' ILE . 11.7 tp -56.91 -31.24 64.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 815' ' ' GLU . 19.4 tt0 -63.97 -57.59 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.4 pt-20 -55.0 -38.91 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 98.7 mt -70.19 -45.13 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' A' ' 861' ' ' MET . 98.3 m -61.76 -55.26 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . 0.493 ' HA ' HG23 ' A' ' 827' ' ' VAL . 23.7 pttt -53.48 -16.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -66.08 -46.38 77.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -66.16 -52.97 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -142.24 -126.3 2.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 88.7 m -123.59 114.42 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 822' ' ' LYS . 92.7 t -77.96 120.03 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -94.87 -38.34 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -157.43 145.22 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' A' ' 846' ' ' VAL . 2.4 tt -139.61 128.3 23.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.0 ptp180 -131.34 153.08 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 38.7 mt -118.0 123.49 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.01 90.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.1 p -93.99 173.6 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.3 t-20 -94.01 173.2 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -38.84 -46.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.9 37.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 47.18 40.02 13.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.53 145.75 30.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.18 14.22 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -110.62 -8.23 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.83 -38.83 2.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.452 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 51.0 mt -68.22 138.96 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.17 145.69 36.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.48 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -117.46 133.47 55.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . 0.409 HG22 ' HG ' ' A' ' 830' ' ' LEU . 59.1 t -123.23 151.54 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.52 112.49 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -93.68 172.66 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.37 -49.24 8.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -109.46 171.72 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 852' ' ' SER . 16.2 pt-20 -83.13 -47.27 11.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 55.7 m -46.39 -51.77 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.59 -58.32 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -44.85 -54.45 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 47.3 t -48.54 -64.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -44.93 -53.47 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -54.23 -41.0 68.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 803' ' ' LEU . 59.0 t -57.71 -45.98 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -58.19 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -57.65 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.777 ' CB ' HG21 ' A' ' 873' ' ' VAL . 31.1 mtt -63.23 -45.85 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -39.67 96.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 861' ' ' MET . . . 82.42 44.82 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 19.7 ptm -106.66 147.11 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . 0.4 ' C ' HG13 ' A' ' 866' ' ' ILE . 1.1 m -83.15 141.85 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 865' ' ' THR . 92.2 mt -151.62 107.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 816' ' ' GLU . 24.1 mtmm 59.37 35.44 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.42 44.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -155.95 112.79 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.71 114.72 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.82 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -102.45 149.96 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 66.1 tttt -114.87 153.15 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.777 HG21 ' CB ' ' A' ' 861' ' ' MET . 24.0 t -132.5 131.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -129.8 147.04 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.595 HD13 HG21 ' A' ' 858' ' ' VAL . 36.8 mm -59.56 114.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.2 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -56.69 179.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 854' ' ' ALA . 14.2 mt -146.68 153.59 40.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.59 ' CE2' HD22 ' A' ' 843' ' ' LEU . 3.1 t80 -127.7 134.06 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 872' ' ' LYS . 10.0 mt -132.98 146.81 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.7 p -138.53 155.76 48.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 78.88 55.93 3.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.603 HD23 HG21 ' A' ' 871' ' ' ILE . 42.7 mt -110.91 143.14 27.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 810' ' ' PHE . 53.5 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 809' ' ' PRO . 22.6 m-85 -36.96 -35.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 40.8 m -57.27 -50.81 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 38.8 t -41.14 150.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 11.3 t -138.02 159.09 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 815' ' ' GLU . 36.9 ttmt -44.06 -63.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 814' ' ' LYS . 17.4 mt-10 -35.41 -66.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -40.8 -72.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 818' ' ' GLU . 12.0 tp -46.4 -63.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 817' ' ' LEU . 28.4 tt0 -35.67 -54.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.86 -54.29 44.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 37.3 mt -54.99 -33.95 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 87.4 m -66.55 -44.98 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.23 -35.71 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.55 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 93.5 m-70 -75.27 -56.84 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.9 -155.56 6.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 23.8 m -93.39 118.54 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.84 112.03 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -79.83 -35.73 37.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -168.67 156.45 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 831' ' ' ARG . 3.4 tt -143.92 134.0 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.518 ' N ' HD23 ' A' ' 830' ' ' LEU . 4.1 ptp180 -131.27 150.1 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 85.8 mt -118.02 144.62 45.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . 0.45 HG12 ' HG3' ' A' ' 841' ' ' LYS . 60.5 t -88.5 115.25 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 71.3 p -112.48 -176.94 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 838' ' ' GLY . 62.8 t30 -122.02 174.23 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -44.03 -41.0 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.4 ' O ' ' CE ' ' A' ' 839' ' ' LYS . . . -90.0 31.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 52.34 23.2 12.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 837' ' ' ALA . 6.6 mmpt? -85.64 141.32 36.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 114.14 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.45 ' HG3' HG12 ' A' ' 833' ' ' VAL . 2.6 mmmm -71.41 -18.36 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.43 -31.38 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.59 HD22 ' CE2' ' A' ' 804' ' ' PHE . 23.0 mt -70.86 155.39 40.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -150.21 128.32 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.5 m-85 -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.78 150.42 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -128.73 112.39 14.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.25 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -89.27 -45.49 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -117.27 141.48 48.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.89 -44.53 78.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 19.3 m -48.72 -57.39 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -49.97 -48.69 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -55.23 -44.71 75.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 14.7 t -55.29 -61.04 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.87 -57.13 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.407 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -45.8 -39.47 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.863 ' CG2' HD22 ' A' ' 803' ' ' LEU . 89.3 t -69.82 -53.41 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 23.4 mtm -51.67 -23.18 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -93.44 -46.77 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 862' ' ' ASP . 7.7 mtt -69.93 -57.02 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -34.41 114.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.88 45.13 34.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.495 ' HG2' HD11 ' A' ' 871' ' ' ILE . 27.1 ptm -109.12 167.56 10.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.2 m -106.36 131.72 53.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 86.8 mt -143.1 106.57 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp 62.87 40.3 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 67.3 44.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -153.18 109.66 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 870' ' ' ILE . 7.8 mm -69.16 110.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.764 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.1 pp -96.6 146.1 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 805' ' ' ILE . 21.9 tttp -110.01 150.08 29.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.664 ' CG1' HG13 ' A' ' 858' ' ' VAL . 74.9 t -126.87 148.33 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -155.19 137.52 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.36 121.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.47 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 3.4 p-80 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.861 0.362 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.47 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 15.1 mtpt -80.34 151.74 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.774 HD21 ' HB1' ' A' ' 854' ' ' ALA . 11.6 mt -124.29 159.1 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 804' ' ' PHE . 2.4 t80 -128.97 114.0 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.519 HG12 HG13 ' A' ' 873' ' ' VAL . 5.2 mt -108.49 150.1 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 90.6 p -148.7 156.35 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.15 32.32 32.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.799 HD23 HG21 ' A' ' 871' ' ' ILE . 75.8 mt -91.22 143.17 27.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 141.73 46.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.54 -22.05 64.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 4.0 t -64.59 -48.2 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.35 170.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.5 t -148.92 170.3 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -47.96 -58.06 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 816' ' ' GLU . 49.6 mt-10 -40.83 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 38.1 mm-40 -36.46 -58.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.609 HD23 HD21 ' A' ' 830' ' ' LEU . 7.3 tp -54.14 -41.77 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 815' ' ' GLU . 1.2 tp10 -60.46 -60.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.2 pt-20 -51.83 -46.4 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.21 -31.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 96.6 m -78.93 -36.7 41.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.18 -26.97 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -67.79 -45.68 74.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -66.26 -49.28 67.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -165.57 -153.98 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 52.4 m -87.49 129.53 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.184 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.93 116.72 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -84.79 -44.56 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -161.4 145.8 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.609 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -137.26 129.05 28.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 24.0 ptt180 -135.84 152.63 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.24 144.36 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.6 t -87.11 133.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.5 p -133.29 -177.98 4.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -110.74 -176.29 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -56.11 -38.91 71.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.99 25.26 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 56.35 30.37 58.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.07 141.4 29.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 130.19 18.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -97.38 -18.63 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.68 -11.39 56.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.61 151.15 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.38 24.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.457 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.8 m-85 -105.94 125.77 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.0 150.75 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -137.54 106.66 6.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -88.74 -178.98 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.0 -38.82 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -120.63 159.26 25.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 852' ' ' SER . 14.2 pt-20 -71.14 -44.24 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 70.8 m -48.75 -59.04 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -47.42 -58.61 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.774 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.64 -53.9 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 32.5 t -49.25 -59.68 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -49.72 -52.08 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.9 -32.04 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.719 ' CG2' HD22 ' A' ' 803' ' ' LEU . 86.3 t -72.93 -42.69 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.19 -23.84 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -90.02 -57.38 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.738 ' CB ' HG21 ' A' ' 873' ' ' VAL . 11.2 mmm -60.15 -51.92 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 30.4 t70 -37.71 105.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.532 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 871' ' ' ILE . 16.8 ptm -108.61 152.06 25.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -94.63 133.15 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 83.4 mt -140.02 107.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 57.82 41.59 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 69.23 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -150.38 105.72 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.66 112.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.799 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -102.12 142.96 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -103.73 155.99 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.738 HG21 ' CB ' ' A' ' 861' ' ' MET . 5.2 t -139.67 144.36 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.54 151.75 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.1 130.67 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . 0.542 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 22.0 p-80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 33.4 mtpt -69.35 159.12 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 1.049 HD21 ' HB1' ' A' ' 854' ' ' ALA . 9.6 mt -133.85 165.52 24.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 3.7 t80 -137.76 136.61 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.668 ' CG2' HD13 ' A' ' 871' ' ' ILE . 8.2 mt -133.06 138.55 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 87.8 p -135.84 161.0 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 77.46 36.89 32.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.945 HD23 HG21 ' A' ' 871' ' ' ILE . 40.9 mt -97.36 143.91 27.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.953 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.36 17.38 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -44.0 -35.29 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 89.7 p -53.44 -51.05 63.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 1.9 t -39.82 156.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 814' ' ' LYS . 14.7 t -149.09 158.86 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.0 OUTLIER -35.68 -65.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 816' ' ' GLU . 3.7 mp0 -36.52 -71.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 815' ' ' GLU . 38.3 mm-40 -36.04 -67.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.538 HD23 HD21 ' A' ' 830' ' ' LEU . 10.4 tp -47.22 -61.18 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.88 -54.04 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.99 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.4 -29.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 92.9 m -81.02 -60.43 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 822' ' ' LYS . 0.0 OUTLIER -44.43 -28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.93 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.57 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . 0.516 ' O ' ' CD2' ' A' ' 848' ' ' TYR . 99.5 m -96.23 131.87 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 822' ' ' LYS . 89.8 t -100.1 104.26 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -70.07 -42.22 73.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -162.19 147.26 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.538 HD21 HD23 ' A' ' 817' ' ' LEU . 2.4 tt -136.24 127.87 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 8.7 ptp85 -128.76 145.47 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 814' ' ' LYS . 43.2 mt -119.64 123.28 43.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . 0.467 HG12 ' HD3' ' A' ' 841' ' ' LYS . 89.8 t -67.37 111.37 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 32.2 p -105.87 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -109.57 -175.02 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -58.63 -35.19 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 11.26 21.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 73.27 32.13 60.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -101.51 142.11 23.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.467 ' HD3' HG12 ' A' ' 833' ' ' VAL . 26.8 mtpp -76.85 -16.33 59.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 118.77 -42.51 1.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 62.6 mt -65.91 136.76 56.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.32 128.51 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . 0.493 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.8 m-85 -102.65 137.73 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 28.2 t -126.85 145.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.62 111.21 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' THR . 16.7 m-85 -92.25 -176.57 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -95.02 -43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.478 ' OD1' ' NE2' ' A' ' 853' ' ' GLN . 0.4 OUTLIER -117.83 149.99 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.21 -52.94 62.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 78.6 p -44.78 -57.43 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 850' ' ' ASN . 30.2 mt-30 -48.17 -48.32 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 1.049 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -61.49 -51.91 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 46.3 t -45.94 -54.32 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.59 -52.87 62.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.75 24.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.687 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -73.23 -49.23 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 41.2 mtm -58.52 -26.94 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -89.76 -60.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.692 ' CB ' HG21 ' A' ' 873' ' ' VAL . 36.3 mmm -55.23 -45.09 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 14.8 t70 -43.47 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 67.58 49.1 52.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.4 ' SD ' HD11 ' A' ' 866' ' ' ILE . 23.1 ptm -108.76 166.59 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 4.0 m -99.2 135.7 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.516 HD12 HG12 ' A' ' 871' ' ' ILE . 96.2 mt -149.37 111.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 60.34 38.55 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.0 46.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -157.92 116.5 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 8.8 mm -71.14 115.05 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.945 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -103.69 145.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -106.03 145.76 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.692 HG21 ' CB ' ' A' ' 861' ' ' MET . 54.7 t -127.84 143.18 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -147.6 148.58 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.555 HD13 HG21 ' A' ' 858' ' ' VAL . 47.7 mm -61.43 126.82 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -79.93 166.59 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 1.027 HD21 ' HB1' ' A' ' 854' ' ' ALA . 9.5 mt -137.31 164.21 29.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.518 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 74.7 t80 -136.2 128.05 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 871' ' ' ILE . 7.9 mt -124.96 134.75 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.518 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 5.0 m -135.37 151.29 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.27 33.17 18.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 871' ' ' ILE . 30.7 mt -92.98 143.19 26.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.07 16.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.24 -45.27 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 66.6 m -39.06 -51.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.1 170.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 8.9 t -158.43 176.49 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -50.2 -44.05 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.95 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -50.7 -56.82 10.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.34 -65.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . 0.443 ' C ' ' OE1' ' A' ' 818' ' ' GLU . 0.0 OUTLIER -38.29 -44.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -57.75 -59.26 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 57.6 mt -47.76 -39.37 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . 0.442 ' CB ' HG21 ' A' ' 827' ' ' VAL . 89.1 m -62.52 -49.61 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -50.25 -35.55 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.21 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 81.7 m-70 -70.08 -58.21 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.41 -147.35 4.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . 0.458 HG21 ' OE1' ' A' ' 849' ' ' GLU . 99.8 m -98.82 128.37 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.442 HG21 ' CB ' ' A' ' 821' ' ' CYS . 51.2 t -101.85 111.94 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -73.89 -38.59 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -169.82 144.74 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 831' ' ' ARG . 5.5 tt -118.65 139.21 51.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . 0.642 ' N ' HD23 ' A' ' 830' ' ' LEU . 18.4 mmt180 -122.88 138.02 54.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.558 HD23 ' HB1' ' A' ' 844' ' ' ALA . 23.7 mt -120.31 122.65 41.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.16 114.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 80.6 p -121.16 172.86 7.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 838' ' ' GLY . 5.9 p-10 -94.61 175.22 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -40.07 -42.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.02 34.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 41.64 45.57 4.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -96.88 142.52 24.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.22 5.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -103.85 -1.95 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.25 2.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.87 132.55 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . 0.558 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -155.23 145.9 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -108.76 155.84 20.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.79 143.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -125.63 105.94 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -89.31 178.67 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . 0.458 ' OE1' HG21 ' A' ' 826' ' ' THR . 24.7 tt0 -73.86 -49.62 24.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -125.91 -175.63 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -78.98 -44.0 23.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 17.1 t -43.74 -64.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -44.28 -55.56 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 1.027 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.29 -53.93 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 7.7 t -51.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -47.67 -57.04 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . 0.451 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -52.44 -33.01 42.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 854' ' ' ALA . 69.6 t -72.3 -45.37 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 38.2 mtp -60.6 -29.29 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 824' ' ' HIS . 6.7 mmmm -88.25 -55.62 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.674 ' HB3' HG21 ' A' ' 873' ' ' VAL . 6.2 mmt -58.73 -46.33 87.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 7.4 t70 -43.21 112.16 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 65.01 49.85 60.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.0 ptm -110.59 156.01 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 130.27 42.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.407 HD12 HG12 ' A' ' 871' ' ' ILE . 97.1 mt -136.68 111.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 30.9 mttm 53.07 40.76 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 71.97 46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -156.67 114.97 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.2 mm -76.65 105.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -95.4 144.85 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -106.37 148.33 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.674 HG21 ' HB3' ' A' ' 861' ' ' MET . 64.5 t -134.44 148.5 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -160.24 155.25 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.2 mm -56.64 123.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.0 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -53.96 162.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' LEU . . . . . 0.825 HD22 ' CG2' ' A' ' 858' ' ' VAL . 8.6 mt -137.67 143.13 41.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' PHE . . . . . 0.768 ' CE1' HD22 ' A' ' 843' ' ' LEU . 13.0 t80 -113.89 117.42 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.645 HG12 HG13 ' A' ' 873' ' ' VAL . 2.1 mt -113.72 148.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 843' ' ' LEU . 64.5 p -149.48 156.73 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 86.4 27.56 29.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 871' ' ' ILE . 33.6 mt -89.49 143.89 31.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.88 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.254 . . . . 0.0 112.352 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -47.14 -41.44 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.9 m -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 51.1 t -53.19 149.41 7.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.87 170.38 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' ' 832' ' ' LEU . 0.7 OUTLIER -53.43 -57.14 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -43.64 -58.99 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.82 -44.69 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' LEU . . . . . 0.577 HD23 HD21 ' A' ' 830' ' ' LEU . 11.9 tp -70.01 -35.21 74.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.73 -60.41 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -40.55 92.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 89.9 mt -66.24 -25.8 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' CYS . . . . . 0.436 ' HG ' ' HG ' ' A' ' 817' ' ' LEU . 75.8 m -87.88 -24.68 23.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -63.26 -41.44 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.2 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -61.99 -55.23 31.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.14 8.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 94.7 m -85.31 130.61 34.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 111.145 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 76.5 t -97.3 105.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -75.73 -39.29 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -163.21 158.98 22.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 817' ' ' LEU . 2.4 tt -147.96 125.4 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -128.77 147.95 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 814' ' ' LYS . 11.9 mt -115.52 125.21 52.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.56 82.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.4 p -90.57 179.62 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 838' ' ' GLY . 4.0 p-10 -96.36 175.61 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -40.36 -42.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 34.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 42.52 41.46 4.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -94.0 144.11 27.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.81 4.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -100.05 -6.13 26.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.53 -34.32 5.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' LEU . . . . . 0.768 HD22 ' CE1' ' A' ' 804' ' ' PHE . 31.2 mt -72.11 148.18 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -155.43 143.58 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -114.59 137.45 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.27 149.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -133.54 100.21 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -82.49 -176.85 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -91.26 -43.81 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -122.75 170.66 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.92 -40.83 60.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 18.3 m -50.02 -56.94 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.22 -52.64 51.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' ALA . . . . . 0.874 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -48.2 -47.59 35.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.0 t -57.2 -55.6 32.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.34 35.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 858' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 854' ' ' ALA . 24.6 t -73.96 -47.41 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 29.9 mmm -60.08 -17.19 37.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -101.5 -43.43 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 861' ' ' MET . . . . . 0.698 ' HB3' HG21 ' A' ' 873' ' ' VAL . 6.5 mtt -71.72 -50.67 28.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.0 p-10 -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.02 47.4 24.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' MET . . . . . 0.517 ' SD ' HD11 ' A' ' 866' ' ' ILE . 24.0 ptm -103.44 155.57 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.5 m -97.39 129.38 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' ILE . . . . . 0.517 HD11 ' SD ' ' A' ' 864' ' ' MET . 73.7 mt -138.37 105.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.23 48.62 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 63.27 48.33 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.58 113.09 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.4 mm -76.84 115.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.831 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -103.83 144.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -112.2 140.98 46.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 873' ' ' VAL . . . . . 0.698 HG21 ' HB3' ' A' ' 861' ' ' MET . 6.1 t -119.43 165.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.522 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -160.1 153.72 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' ILE . . . . . 0.474 HD13 HG21 ' A' ' 858' ' ' VAL . 49.5 mm -74.04 115.72 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 98.2 p -66.48 173.26 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.371 . . . . 0.0 110.882 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 9.0 m -134.74 103.12 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -86.48 108.76 3.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 2.4 t -66.56 -47.36 73.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 3.1 m -65.0 109.17 2.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 73.01 147.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 91.3 t -134.72 141.83 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -134.07 173.25 11.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -101.82 114.54 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -123.1 -46.78 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 8.4 t -127.64 142.46 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 4.7 t -37.74 155.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.8 m -52.22 131.26 32.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.833 ' C ' HD12 ' A' ' 798' ' ' LEU . 1.0 OUTLIER -98.07 149.22 22.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -98.75 142.51 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.34 -43.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -48.56 -44.36 36.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -54.45 149.02 10.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 1.062 HD21 ' HB1' ' A' ' 854' ' ' ALA . 7.1 mt -127.45 150.17 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.625 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 56.3 t80 -123.77 128.33 49.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.677 ' CG2' HD13 ' A' ' 871' ' ' ILE . 5.4 mt -125.3 122.54 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 89.4 p -119.08 158.66 25.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . 0.673 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 78.56 50.4 6.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.935 HD23 HG21 ' A' ' 871' ' ' ILE . 30.6 mt -110.91 144.04 29.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 127.99 15.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -43.66 -37.61 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 812' ' ' CYS . 21.2 t -54.08 -46.67 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 811' ' ' SER . 45.6 t -37.71 142.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 816' ' ' GLU . 12.9 t -125.79 155.19 41.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.455 ' CA ' HD11 ' A' ' 832' ' ' LEU . 11.9 tttp -46.76 -65.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 814' ' ' LYS . 34.8 mt-10 -35.53 -57.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.503 ' H ' HG23 ' A' ' 813' ' ' THR . 27.6 mt-10 -43.56 -62.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 817' ' ' LEU . 11.4 tp -57.08 -36.27 70.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.38 -57.85 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.3 pt-20 -56.19 -38.32 70.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . 0.405 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 64.4 mt -71.93 -33.26 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 65.2 m -69.47 -51.27 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -61.52 -10.17 7.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -71.7 -24.21 61.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -95.22 -48.67 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.09 -154.1 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 96.4 m -84.86 124.57 31.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.173 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.59 101.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 828' ' ' LYS . 2.8 mmmp? -66.46 -47.26 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -161.96 153.16 18.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 831' ' ' ARG . 2.6 tt -139.58 131.53 27.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.462 ' N ' HD23 ' A' ' 830' ' ' LEU . 10.4 tpp180 -135.27 143.51 46.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.455 HD11 ' CA ' ' A' ' 814' ' ' LYS . 12.7 mt -115.14 119.59 36.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.439 HG12 ' HD3' ' A' ' 841' ' ' LYS . 59.8 t -61.75 106.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 25.8 p -104.05 170.14 8.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 839' ' ' LYS . 51.4 t30 -96.75 177.79 5.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.0 mtt-85 -58.21 -29.55 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.4 -3.3 57.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 91.15 17.71 49.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 835' ' ' ASN . 5.3 mmmm -91.55 143.68 28.44 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.284 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.439 ' HD3' HG12 ' A' ' 833' ' ' VAL . 28.6 mtpp -77.49 -3.98 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.18 -27.28 20.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.625 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 23.6 mt -81.82 143.09 32.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -146.63 137.0 23.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -108.06 147.42 31.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.94 151.08 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -131.25 123.04 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -109.1 172.53 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -88.11 -42.03 12.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -111.57 -179.09 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -95.4 -44.66 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 27.3 t -56.57 -41.39 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -57.8 -54.1 50.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 1.062 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -54.96 -45.83 74.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.1 t -51.64 -53.51 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -54.09 -51.76 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -56.68 -33.69 66.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.741 ' CG2' HD22 ' A' ' 803' ' ' LEU . 96.1 t -72.12 -38.49 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 2.2 mtp -67.8 -29.03 68.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -89.44 -57.95 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.585 ' CB ' HG21 ' A' ' 873' ' ' VAL . 27.9 mtt -55.46 -35.86 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 6.8 t70 -52.24 112.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.68 48.84 47.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.3 ptm -110.58 149.39 30.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.0 m -90.51 129.03 36.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.05 113.28 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.5 mmtm 57.25 34.91 25.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 74.5 48.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -158.16 114.01 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -70.95 111.3 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.935 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -102.83 145.2 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 35.7 tttp -111.59 149.34 31.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 861' ' ' MET . 25.6 t -115.7 157.91 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.473 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -159.9 129.95 5.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.636 ' CD1' HG21 ' A' ' 858' ' ' VAL . 30.8 mm -61.82 115.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 2.6 m -58.85 83.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 875' ' ' ILE . 48.1 t30 -100.58 -51.89 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 47.4 m -69.82 129.59 39.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -149.74 -90.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 102.11 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 40.6 t -65.06 110.18 2.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.3 t -76.18 -60.67 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 37.2 p -99.65 83.74 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 58.7 m -138.98 119.86 14.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -172.91 124.52 1.07 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.4 t -115.43 128.26 55.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 11.7 t -49.52 126.95 14.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 119.09 88.19 1.15 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.39 119.7 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.71 122.5 27.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -132.46 87.79 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -117.34 137.55 52.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 55.3 p -84.48 101.79 12.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 24.3 p -90.19 165.28 14.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 59.7 p -134.67 44.39 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.495 HD13 ' OD1' ' A' ' 877' ' ' ASN . 6.9 mt -130.63 166.0 21.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 801' ' ' HIS . 9.5 mt-10 -100.0 52.17 0.91 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 801' ' ' HIS . 21.9 tttt -42.89 -54.12 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.499 ' CE1' ' HB3' ' A' ' 799' ' ' GLU . 52.0 p-80 -36.39 -40.8 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.466 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 37.9 mttp -61.81 150.61 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.949 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.7 mt -122.27 149.1 44.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -123.91 118.51 27.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 871' ' ' ILE . 2.8 mt -113.48 151.64 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 25.1 p -148.38 154.08 39.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.04 16.1 65.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.733 HD23 HG21 ' A' ' 871' ' ' ILE . 36.0 mt -74.65 142.81 77.82 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.17 18.88 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.379 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -46.34 -44.34 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 7.7 t -43.82 -51.8 7.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.6 154.6 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -141.61 -178.81 5.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.453 ' HG3' HD22 ' A' ' 830' ' ' LEU . 8.4 ttmm -54.89 -47.37 74.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.8 -60.27 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -51.66 -67.46 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 818' ' ' GLU . 13.7 tp -44.99 -64.37 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 817' ' ' LEU . 40.3 tt0 -35.64 -57.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -48.71 -59.35 3.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 98.2 mt -48.04 -36.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 99.4 m -71.11 -36.6 72.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -61.19 -21.1 63.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.95 -41.94 63.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -70.18 -39.44 75.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -173.23 -150.99 7.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 40.8 m -93.95 126.29 39.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 111.141 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 97.7 t -96.52 106.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.44 -48.39 41.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -149.89 156.93 42.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.453 HD22 ' HG3' ' A' ' 814' ' ' LYS . 4.6 tt -145.35 129.04 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.417 ' N ' HD23 ' A' ' 830' ' ' LEU . 20.4 ttt180 -132.75 140.31 48.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.546 HD23 ' HB1' ' A' ' 844' ' ' ALA . 15.9 mt -115.84 137.23 52.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.0 t -86.02 94.89 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 1.3 p -95.07 176.68 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -90.09 173.09 8.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -56.17 -26.32 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.55 -13.96 28.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 105.82 5.0 39.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -77.07 143.7 70.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.547 0.689 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 136.61 33.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -105.62 -14.0 15.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 106.32 -24.11 26.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.43 127.01 33.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.546 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -139.04 137.44 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.046 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.403 ' CE2' ' OG ' ' A' ' 876' ' ' SER . 11.8 m-85 -108.53 142.66 38.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.11 151.14 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -133.5 109.69 9.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.52 -179.74 4.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' A' ' 849' ' ' GLU . 6.6 tm-20 -89.26 -48.17 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -108.82 164.85 12.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -77.87 -45.39 24.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 40.5 t -52.37 -53.26 47.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -50.11 -50.36 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.949 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -56.54 -50.11 72.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.9 t -49.66 -58.28 5.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -48.47 -55.03 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -52.66 -30.78 33.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.813 ' CG2' HD22 ' A' ' 803' ' ' LEU . 91.3 t -74.41 -40.05 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.1 mtt -69.72 -31.25 69.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -84.12 -55.99 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.793 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.3 mmm -57.45 -45.19 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -41.58 109.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 70.44 46.96 45.54 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 866' ' ' ILE . 6.8 ptm -106.99 154.93 20.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.1 m -92.0 134.79 34.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.633 HD11 ' SD ' ' A' ' 864' ' ' MET . 71.2 mt -148.71 108.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt 63.1 33.46 14.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 72.3 46.73 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -158.77 109.36 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.8 mp -66.34 108.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.782 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -93.22 139.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -104.0 142.03 35.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.793 HG21 ' CB ' ' A' ' 861' ' ' MET . 58.2 t -119.49 156.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.466 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -158.09 150.6 22.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.697 ' CD1' HG21 ' A' ' 858' ' ' VAL . 42.1 mm -70.72 116.98 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.403 ' OG ' ' CE2' ' A' ' 845' ' ' TYR . 2.2 m -54.47 98.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.495 ' OD1' HD13 ' A' ' 798' ' ' LEU . 1.0 OUTLIER -161.52 126.82 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 23.0 t -122.1 95.97 4.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -134.96 -158.11 8.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 119.8 6.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 9.5 t -159.73 121.36 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 46.2 p -119.43 -51.05 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 97.0 p -51.17 121.52 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.4 t -72.01 152.13 42.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 128.6 41.21 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 3.3 t -90.84 122.32 33.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 31.8 t -85.14 116.2 23.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -172.53 88.23 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.7 40.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -52.09 -49.1 64.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -128.83 153.39 47.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -117.28 93.52 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 51.5 m -90.97 -65.48 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 9.9 t -131.51 146.85 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 18.1 m -76.77 133.7 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 9.4 mp -74.44 154.61 38.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.58 69.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.14 51.64 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 18.4 p-80 -110.99 -45.57 3.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -64.37 149.52 48.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.801 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.0 mt -125.94 155.9 40.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.509 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 86.5 t80 -125.24 125.5 43.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.734 ' CG2' HD13 ' A' ' 871' ' ' ILE . 4.8 mt -122.41 132.52 70.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 4.5 t -127.27 167.17 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . 0.547 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 69.84 40.47 75.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.85 HD23 HG21 ' A' ' 871' ' ' ILE . 94.0 mt -97.14 142.3 24.34 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 120.55 7.31 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.666 2.244 . . . . 0.0 112.31 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -37.56 -35.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.6 m -53.39 -52.25 59.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.0 t -42.26 153.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 3.3 t -139.21 164.97 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.482 ' HB2' HD11 ' A' ' 832' ' ' LEU . 6.3 tmtt? -46.57 -55.48 7.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -46.35 -57.58 4.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 31.7 mt-10 -47.74 -59.36 3.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.67 HD23 HD21 ' A' ' 830' ' ' LEU . 13.6 tp -54.58 -38.2 66.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.13 -60.23 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 11.1 pt-20 -53.1 -39.25 63.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . 0.498 HG22 ' CE ' ' A' ' 861' ' ' MET . 80.3 mt -70.84 -36.66 65.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 67.6 m -68.22 -55.23 13.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -57.53 -12.44 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -68.2 -25.58 65.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.068 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -94.04 -59.3 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -139.07 -144.27 4.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 30.4 m -97.98 123.83 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 73.2 t -93.16 105.36 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -75.07 -50.05 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -148.88 152.18 35.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.67 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -144.43 132.71 21.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.502 ' N ' HD23 ' A' ' 830' ' ' LEU . 36.5 ttp180 -137.73 155.09 49.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 814' ' ' LYS . 14.4 mt -121.03 132.72 55.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.472 HG12 ' HE2' ' A' ' 841' ' ' LYS . 42.6 t -72.74 106.7 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 76.3 p -112.72 -177.47 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -113.21 179.19 4.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -47.34 -24.02 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.28 -45.62 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 129.91 -6.77 6.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -65.38 143.3 98.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.16 6.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HE2' HG12 ' A' ' 833' ' ' VAL . 38.7 mtmt -80.8 -10.5 59.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.63 -21.26 26.14 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.509 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 32.8 mt -91.96 136.23 33.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.68 143.92 43.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -110.87 136.76 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.81 140.83 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -125.31 118.09 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -98.43 179.78 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -92.15 -45.69 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -120.76 162.61 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -69.69 -54.53 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.3 t -39.87 -60.98 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -48.8 -61.52 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.7 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -45.04 -59.62 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 3.4 t -39.79 -55.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -55.98 -51.99 65.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.16 -31.73 20.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.801 ' CG2' HD22 ' A' ' 803' ' ' LEU . 74.8 t -73.22 -54.43 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.3 mtt -60.12 -20.83 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -92.35 -40.16 11.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.692 ' HB3' HG21 ' A' ' 873' ' ' VAL . 3.8 mtt -78.3 -56.78 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -36.6 117.35 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.824 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.7 29.99 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.495 ' HG2' HD11 ' A' ' 871' ' ' ILE . 23.1 ptm -108.09 153.26 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.5 m -95.55 133.79 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 91.8 mt -146.96 114.44 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt 57.67 36.7 26.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 68.6 47.81 0.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -156.78 110.93 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -69.02 113.17 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.85 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -100.74 143.36 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -105.91 154.22 20.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.692 HG21 ' HB3' ' A' ' 861' ' ' MET . 42.2 t -137.82 146.25 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.43 155.84 31.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 876' ' ' SER . 28.6 mm -61.74 117.69 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 875' ' ' ILE . 8.3 p -35.01 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.62 38.96 1.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 10.1 t -39.47 120.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -113.49 146.44 18.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 164.28 35.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.668 2.246 . . . . 0.0 112.291 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 1.9 m -104.93 -56.67 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 1.1 t 52.67 41.26 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 18.8 m -131.57 128.0 38.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 31.1 t -49.79 110.47 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 110.95 -127.44 8.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 24.8 m -137.5 141.75 41.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 5.3 t -50.51 125.44 12.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 89.86 -66.11 2.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 87.7 t -51.98 112.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -85.8 -50.16 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -83.39 141.93 31.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -67.92 -48.72 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 65.7 m -136.98 137.22 39.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 4.3 t -75.35 -0.56 20.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . 0.403 ' C ' HD13 ' A' ' 798' ' ' LEU . 17.0 m -130.14 131.85 45.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 798' ' ' LEU . 0.0 OUTLIER -128.02 15.27 6.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -75.49 72.75 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.54 26.82 9.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -78.06 -45.5 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -61.86 161.93 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 854' ' ' ALA . 8.6 mt -136.68 160.97 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.421 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 22.4 t80 -135.65 132.17 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.568 ' CG2' HD13 ' A' ' 871' ' ' ILE . 8.1 mt -125.77 149.77 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.402 ' HA ' HD23 ' A' ' 843' ' ' LEU . 78.1 p -143.84 150.5 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.96 41.84 9.28 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.726 HD23 HG21 ' A' ' 871' ' ' ILE . 39.5 mt -96.12 143.67 26.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 119.63 6.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -42.63 -34.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 46.4 m -54.21 -51.48 64.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 32.1 t -44.39 161.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.0 t -140.8 154.69 46.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.472 ' HG3' HD22 ' A' ' 830' ' ' LEU . 19.2 ttpt -41.77 -57.52 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.8 -67.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.59 -66.14 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 818' ' ' GLU . 14.1 tp -46.1 -60.2 2.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 817' ' ' LEU . 29.0 tt0 -37.96 -60.31 0.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -48.33 -53.32 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 77.0 mt -53.14 -38.67 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . 0.442 ' HB2' HG21 ' A' ' 827' ' ' VAL . 72.4 m -69.99 -35.05 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -63.06 -23.16 67.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.92 88.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -66.48 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -144.37 -144.8 4.24 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 93.5 m -99.87 122.69 43.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 111.134 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 821' ' ' CYS . 74.6 t -92.2 110.13 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -73.48 -50.65 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -150.18 160.62 43.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 831' ' ' ARG . 3.5 tt -146.18 131.08 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.482 ' N ' HD23 ' A' ' 830' ' ' LEU . 52.7 ttp180 -131.05 150.72 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 814' ' ' LYS . 17.7 mt -119.45 130.57 55.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.474 HG12 ' HE3' ' A' ' 841' ' ' LYS . 82.6 t -71.15 117.05 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 35.9 p -120.96 -179.79 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.07 178.79 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.3 ttm-85 -48.46 -21.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.98 -45.1 9.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 127.3 -17.24 6.24 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -59.74 143.28 87.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.71 5.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.474 ' HE3' HG12 ' A' ' 833' ' ' VAL . 5.2 mtmp? -77.18 -9.24 58.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.33 -30.15 8.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.421 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 26.1 mt -80.71 148.3 30.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -154.71 151.98 29.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -117.55 148.17 42.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 30.0 t -128.05 144.73 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -127.09 110.97 13.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.13 174.96 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -89.91 -40.25 12.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -116.41 170.91 8.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -80.58 -53.18 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 16.8 t -46.59 -43.3 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.22 -57.25 13.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -50.33 -56.32 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -50.09 -61.5 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -42.42 -54.0 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -57.38 -33.82 68.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.875 ' CG2' HD22 ' A' ' 803' ' ' LEU . 87.8 t -67.62 -40.68 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.22 -33.44 73.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 860' ' ' LYS . 0.6 OUTLIER -78.69 -58.34 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.808 ' CB ' HG21 ' A' ' 873' ' ' VAL . 27.4 mtt -59.75 -44.11 93.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -34.95 102.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 69.47 47.76 48.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.549 ' SD ' HD11 ' A' ' 866' ' ' ILE . 20.8 ptm -102.97 162.82 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 6.3 m -99.38 132.87 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.549 HD11 ' SD ' ' A' ' 864' ' ' MET . 66.3 mt -144.39 108.08 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.4 36.89 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 71.52 47.52 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -156.42 109.65 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.8 mp -70.52 102.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.771 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -91.06 143.89 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -105.92 143.9 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.808 HG21 ' CB ' ' A' ' 861' ' ' MET . 25.6 t -124.86 144.33 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -149.11 155.74 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 19.5 mm -66.34 113.99 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 11.2 t -35.23 142.69 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -80.15 162.84 24.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 8.1 t -95.42 179.12 5.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -146.11 77.65 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -39.69 6.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 5.3 m -127.92 157.93 39.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.9 t -77.8 142.47 38.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.453 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 5.0 t -133.04 126.39 31.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 63.2 p -43.58 151.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 139.24 115.34 1.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 8.2 t -101.53 87.55 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 71.3 m -138.82 113.19 8.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.73 7.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 96.2 t -122.78 136.92 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -126.48 148.15 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -83.85 151.75 24.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -46.75 -59.74 2.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 66.3 p -110.79 124.56 52.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 69.9 m -108.41 98.13 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 41.2 p -115.0 66.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.87 127.91 54.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -93.0 99.3 11.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 65.3 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.543 ' CD2' ' HG3' ' A' ' 802' ' ' LYS . 16.3 p-80 -110.46 -52.89 2.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.543 ' HG3' ' CD2' ' A' ' 801' ' ' HIS . 64.9 mttt -56.87 156.05 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.803 HD22 ' CG2' ' A' ' 858' ' ' VAL . 7.9 mt -123.76 155.74 37.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.693 ' CE1' HD22 ' A' ' 843' ' ' LEU . 21.6 t80 -128.39 110.06 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.768 ' CG2' HD13 ' A' ' 871' ' ' ILE . 3.7 mt -106.39 136.72 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 93.2 p -131.35 150.96 51.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . 0.543 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 83.68 47.83 5.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.51 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.81 HD23 HG21 ' A' ' 871' ' ' ILE . 34.2 mt -99.67 143.41 26.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.591 0.71 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.82 16.59 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -43.8 -28.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 29.7 m -63.95 -47.19 81.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 42.7 t -43.17 149.32 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 5.0 t -138.86 156.96 46.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.531 ' HB2' HD11 ' A' ' 832' ' ' LEU . 30.6 ttmt -42.4 -59.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -41.19 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -38.11 -63.67 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.461 HD23 HD21 ' A' ' 830' ' ' LEU . 14.2 tp -46.05 -53.35 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -47.74 -58.01 4.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -54.15 -37.41 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . 0.452 HG22 ' CE ' ' A' ' 861' ' ' MET . 60.6 mt -71.45 -32.57 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 91.8 m -75.14 -60.21 2.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -20.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -61.54 -33.14 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -86.78 -55.41 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -141.91 -150.52 5.37 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 99.6 m -100.69 117.58 35.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 91.4 t -87.36 101.26 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -64.61 -44.54 90.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -154.63 145.01 22.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.461 HD21 HD23 ' A' ' 817' ' ' LEU . 2.7 tt -135.26 127.39 29.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.459 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 6.8 ptp85 -130.67 146.84 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 814' ' ' LYS . 39.9 mt -114.63 125.72 54.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.75 139.5 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -148.16 -175.87 5.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.426 ' ND2' ' HD3' ' A' ' 841' ' ' LYS . 27.8 m-20 -114.02 179.92 3.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -49.0 -36.38 17.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.846 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.97 25.01 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.47 32.61 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -89.42 140.84 28.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 114.83 3.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.426 ' HD3' ' ND2' ' A' ' 835' ' ' ASN . 5.3 mtmp? -88.67 13.5 12.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 71.62 7.95 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.492 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.693 HD22 ' CE1' ' A' ' 804' ' ' PHE . 36.2 mt -112.03 139.47 47.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.931 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.2 152.21 44.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.9 m-85 -120.81 138.65 53.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.72 150.3 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -134.51 113.86 12.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -98.31 178.7 4.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -48.57 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.3 p30 -120.73 -179.61 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -81.02 -52.83 6.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 3.1 t -38.22 -58.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -51.55 -64.8 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.756 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -40.0 -44.14 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 45.0 t -57.57 -58.09 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -48.24 -54.66 12.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.13 54.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.803 ' CG2' HD22 ' A' ' 803' ' ' LEU . 72.5 t -70.72 -42.52 77.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mtt -62.98 -24.0 67.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -93.47 -59.43 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.865 ' CB ' HG21 ' A' ' 873' ' ' VAL . 17.5 mtt -56.92 -52.44 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 5.7 t0 -35.7 101.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.03 47.19 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.479 ' SD ' HD11 ' A' ' 866' ' ' ILE . 25.6 ptm -110.86 148.8 31.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.357 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.3 m -91.76 126.79 36.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.479 HD11 ' SD ' ' A' ' 864' ' ' MET . 90.5 mt -134.81 107.65 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 43.8 mttm 59.68 48.13 9.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 63.08 38.59 10.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -150.68 111.69 4.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.5 mt -74.68 119.09 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.81 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -107.7 146.97 13.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 805' ' ' ILE . 51.1 tttp -108.13 151.72 25.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.865 HG21 ' CB ' ' A' ' 861' ' ' MET . 15.4 t -132.56 140.06 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.28 144.93 24.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 19.8 mm -56.01 119.17 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 8.7 p -39.19 131.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -98.57 107.13 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 45.6 t -76.41 -53.76 7.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 146.63 70.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 120.22 7.03 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.635 2.224 . . . . 0.0 112.365 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 47.8 t -86.63 124.21 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 29.5 t -64.52 -56.72 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 65.7 m -56.87 111.14 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 29.0 p -144.25 158.9 43.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 788' ' ' SER . . . 135.75 156.89 7.71 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 787' ' ' GLY . 62.2 p -37.49 140.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 3.5 t -134.65 104.75 6.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 130.22 162.42 10.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 90.7 t -115.01 86.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.881 0.372 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -117.07 141.05 48.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -118.59 74.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -69.05 153.38 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 70.4 m -119.2 87.11 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 50.0 m -130.16 151.3 50.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 14.9 m -78.91 87.62 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 34.0 mt -133.65 156.34 48.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -99.05 50.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -53.49 -36.1 61.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -51.96 -37.15 51.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -72.07 154.66 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.803 HD21 ' HB1' ' A' ' 854' ' ' ALA . 14.1 mt -126.53 146.7 50.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.53 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 49.9 t80 -120.2 111.8 18.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.439 ' CG2' HD13 ' A' ' 871' ' ' ILE . 3.7 mt -109.73 144.35 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.445 ' HB3' ' CD2' ' A' ' 843' ' ' LEU . 95.7 p -146.68 154.3 41.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.14 54.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 871' ' ' ILE . 46.0 mt -80.26 142.76 55.19 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 143.85 52.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -49.8 -38.73 35.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 22.9 m -53.47 -50.24 65.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 8.9 t -49.7 152.01 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.444 HG22 ' OE1' ' A' ' 816' ' ' GLU . 9.7 t -157.46 173.16 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.423 ' HG3' HD22 ' A' ' 830' ' ' LEU . 76.3 tttt -41.31 -58.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -39.02 -62.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.444 ' OE1' HG22 ' A' ' 813' ' ' THR . 1.5 mp0 -55.15 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.491 HD23 HD21 ' A' ' 830' ' ' LEU . 11.6 tp -37.17 -62.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -43.77 -56.48 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -56.33 -30.54 62.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 55.2 mt -83.02 -25.36 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.65 -55.12 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -14.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.99 88.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 857' ' ' ALA . 87.0 m-70 -83.46 -49.08 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -145.72 -136.95 3.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.4 m -111.48 133.3 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 99.7 t -98.04 105.0 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . 0.422 ' HD2' ' CD ' ' A' ' 849' ' ' GLU . 6.0 mmpt? -74.11 -44.43 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -151.08 148.53 28.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.2 tt -142.09 132.12 24.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.572 ' N ' HD23 ' A' ' 830' ' ' LEU . 26.3 ttt85 -136.0 148.48 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.71 125.71 51.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 58.5 t -79.25 90.62 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 33.1 p -103.99 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -92.83 -176.93 4.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -47.8 -39.94 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.09 33.67 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 43.5 35.34 2.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -87.47 143.58 34.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.605 0.717 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -93.53 -7.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.28 -19.25 49.22 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.53 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 84.0 mt -90.25 149.18 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.4 151.3 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -121.37 137.23 54.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 20.7 t -120.85 150.84 23.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -134.0 102.67 5.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -86.05 -178.66 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 828' ' ' LYS . 7.0 tp10 -91.72 -39.47 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -124.71 161.54 26.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.02 -45.45 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 t -42.83 -60.96 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -49.14 -62.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.803 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -39.95 -47.91 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.6 t -59.1 -60.14 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -50.65 -55.7 15.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 824' ' ' HIS . . . -47.86 -40.18 20.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.773 ' CG2' HD22 ' A' ' 803' ' ' LEU . 42.1 t -72.23 -52.89 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 7.8 mmt -55.76 -16.83 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -103.52 -34.6 8.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.665 ' HB3' HG21 ' A' ' 873' ' ' VAL . 4.9 mtt -78.73 -54.44 6.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 861' ' ' MET . 9.0 p-10 -35.05 106.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.39 43.34 8.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 22.1 ptm -109.22 153.29 24.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -90.93 134.24 34.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 76.7 mt -146.38 105.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt 66.45 36.16 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 70.72 42.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -155.09 114.11 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.0 mm -70.92 110.58 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.874 HG21 HD23 ' A' ' 808' ' ' LEU . 0.9 OUTLIER -98.29 144.54 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -104.86 154.09 20.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.665 HG21 ' HB3' ' A' ' 861' ' ' MET . 25.3 t -134.51 149.9 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.75 158.73 39.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.0 mm -68.38 115.69 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 875' ' ' ILE . 3.5 p -35.55 143.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -161.14 154.69 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 32.9 m -149.17 147.91 29.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -176.24 81.5 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 137.47 35.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 51.4 p -120.3 114.05 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 62.1 m -94.11 -48.66 6.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 46.6 t -120.56 93.52 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 6.3 m -95.47 121.24 36.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 172.44 92.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 52.1 p -170.63 123.23 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 4.9 t -97.49 136.78 37.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 50.41 92.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.32 142.44 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -101.06 129.5 46.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.4 151.02 20.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -123.68 177.52 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 95.8 p -97.46 144.55 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 86.2 m -94.87 133.87 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 12.5 t -50.39 -52.22 39.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.77 147.59 37.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -94.58 42.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -75.47 -41.86 54.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -39.11 -42.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.562 ' O ' HD23 ' A' ' 803' ' ' LEU . 17.2 mtmt -61.85 174.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 854' ' ' ALA . 10.4 mt -140.83 148.31 40.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.87 ' CE1' HD22 ' A' ' 843' ' ' LEU . 12.4 t80 -122.53 108.17 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.599 ' CG2' HD13 ' A' ' 871' ' ' ILE . 2.8 mt -102.99 141.01 19.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.407 ' HA ' HD23 ' A' ' 843' ' ' LEU . 33.1 t -137.54 164.3 29.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 72.78 44.41 38.59 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.991 HD23 HG21 ' A' ' 871' ' ' ILE . 23.6 mt -106.91 142.3 24.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.49 14.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -40.33 -33.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 20.5 m -52.82 -54.17 38.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.1 t -44.89 155.27 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 1.7 t -139.13 171.51 14.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.81 ' HG2' HD22 ' A' ' 830' ' ' LEU . 1.4 tmmt? -56.24 -54.73 41.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -43.1 -66.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -42.74 -58.83 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 817' ' ' LEU . 13.1 tp -49.41 -62.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.465 ' HB2' HD13 ' A' ' 830' ' ' LEU . 11.7 tm-20 -40.96 -59.98 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -46.85 -38.97 11.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 50.6 mt -74.27 -28.59 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 57.8 m -74.64 -55.86 5.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -52.08 -30.67 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.14 -33.12 62.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.02 -52.56 6.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.46 -148.39 4.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 81.4 m -97.69 122.55 40.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 0.0 111.099 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 85.2 t -88.42 101.56 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 828' ' ' LYS . 0.0 OUTLIER -68.96 -43.11 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -163.74 148.34 10.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 814' ' ' LYS . 4.2 tt -133.78 132.41 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.501 ' N ' HD23 ' A' ' 830' ' ' LEU . 1.4 ptm85 -134.81 148.95 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 814' ' ' LYS . 78.3 mt -108.95 150.8 27.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 12.9 t -105.78 84.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 41.6 p -100.89 -178.75 3.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 837' ' ' ALA . 3.5 p-10 -96.71 -176.21 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -49.24 -38.28 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.456 ' N ' ' OD1' ' A' ' 835' ' ' ASN . . . -93.96 34.54 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 44.0 42.6 6.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.05 143.78 26.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 121.47 8.16 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -107.06 17.38 23.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 68.22 21.69 74.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.87 HD22 ' CE1' ' A' ' 804' ' ' PHE . 25.3 mt -127.37 137.23 52.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.362 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -142.42 156.57 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.459 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 8.3 m-85 -128.2 130.97 48.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 46.5 t -117.7 148.24 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -128.31 119.98 26.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -106.15 176.59 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -90.97 -50.48 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -108.55 175.11 5.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.02 -37.58 17.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 33.5 t -56.91 -49.13 76.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.96 -55.14 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -51.96 -52.16 52.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 22.7 t -48.51 -60.26 2.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -45.74 -55.41 6.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -58.75 -29.97 67.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.765 ' CG2' HD22 ' A' ' 803' ' ' LEU . 55.6 t -74.19 -37.96 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.09 -31.23 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 26.7 mmtm -85.32 -60.62 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.645 ' CB ' HG21 ' A' ' 873' ' ' VAL . 36.3 mtt -53.21 -43.25 67.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 8.5 t0 -46.53 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 80.49 40.83 12.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.447 ' HE1' HD11 ' A' ' 866' ' ' ILE . 22.7 ptm -103.41 144.13 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.1 m -84.36 126.89 33.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.66 HD12 HG12 ' A' ' 871' ' ' ILE . 51.6 mt -135.07 119.02 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 68.4 mttt 49.72 45.33 24.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 63.71 49.28 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -162.16 112.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.18 115.23 6.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.991 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -104.66 139.72 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -105.23 156.09 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.645 HG21 ' CB ' ' A' ' 861' ' ' MET . 30.6 t -129.98 138.94 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.5 ' HB3' ' HD2' ' A' ' 804' ' ' PHE . . . -138.81 135.29 34.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.53 HD13 HG21 ' A' ' 858' ' ' VAL . 30.7 mm -56.8 119.43 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.2 m -62.67 106.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -109.62 40.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 59.6 p 41.53 40.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -116.87 153.98 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 176.82 6.24 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 60.6 p -78.05 146.61 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 m -95.02 130.16 41.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 88.1 p -101.66 42.09 1.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 47.0 t -50.09 142.86 8.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -76.5 -123.87 0.2 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 50.8 m -131.13 166.88 20.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 36.5 t -108.27 -52.29 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -135.66 -79.33 0.1 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 34.3 m -107.31 140.77 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -64.82 -46.62 81.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -55.44 133.0 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.84 157.12 30.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 21.7 m -121.68 108.81 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 22.9 m -106.52 100.77 10.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 3.5 t -63.04 -36.15 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.93 149.6 46.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -86.22 96.22 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.17 -44.53 5.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 46.4 p-80 -38.81 -53.16 1.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.465 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 54.8 mttt -46.25 159.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 1.046 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.3 mt -138.29 157.67 45.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.729 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 1.2 t80 -132.54 135.87 46.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.536 ' CG2' HD13 ' A' ' 871' ' ' ILE . 6.8 mt -130.16 132.61 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.18 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 98.6 p -128.5 151.63 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 87.75 37.02 8.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.927 HD23 HG21 ' A' ' 871' ' ' ILE . 27.1 mt -97.25 143.38 26.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 124.97 11.61 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.379 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -40.53 -34.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 68.6 m -53.93 -52.82 59.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.0 t -41.22 159.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.0 t -147.81 165.96 28.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.464 ' N ' HD11 ' A' ' 832' ' ' LEU . 0.2 OUTLIER -47.13 -53.48 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -45.44 -64.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -44.63 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 817' ' ' LEU . 12.5 tp -43.53 -62.29 1.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -43.68 -53.11 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -52.05 -39.49 59.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 40.3 mt -75.87 -29.43 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . 0.411 ' HB3' HG22 ' A' ' 827' ' ' VAL . 62.1 m -70.37 -52.48 22.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . 0.407 ' HA ' HG23 ' A' ' 827' ' ' VAL . 37.1 pttt -57.85 -13.49 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -72.15 -31.24 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -84.27 -41.27 17.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -159.45 -133.8 1.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 56.0 m -111.72 114.34 27.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 111.181 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 821' ' ' CYS . 59.6 t -79.31 110.44 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . 0.409 ' CB ' ' OE1' ' A' ' 847' ' ' GLU . 28.1 mmmt -80.53 -45.57 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -158.39 142.32 15.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.8 tt -136.53 137.21 40.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.739 ' N ' HD23 ' A' ' 830' ' ' LEU . 10.7 ptp180 -138.35 147.63 43.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 814' ' ' LYS . 93.4 mt -111.55 143.93 41.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.1 t -90.49 128.09 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 34.7 p -120.28 -179.55 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.404 ' OD1' ' HB3' ' A' ' 837' ' ' ALA . 1.8 p30 -117.92 176.97 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -50.51 -18.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.404 ' HB3' ' OD1' ' A' ' 835' ' ' ASN . . . -90.12 -46.85 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 133.83 -36.43 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -51.13 158.29 1.29 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.15 5.51 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.375 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -72.92 -11.37 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.19 -38.88 3.12 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.729 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 28.3 mt -69.96 136.43 50.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -135.52 138.23 42.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.478 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -110.45 141.4 43.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 847' ' ' GLU . 67.2 t -129.24 153.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 846' ' ' VAL . 3.4 tm-20 -138.54 108.49 6.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -90.33 -175.98 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -86.63 -47.87 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 43.0 p30 -122.56 -177.51 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -81.85 -44.13 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 8.1 t -47.02 -63.48 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -46.2 -52.59 12.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 1.046 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -48.92 -61.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -44.32 -61.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -44.63 -50.25 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.64 78.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.631 ' CG2' HD22 ' A' ' 803' ' ' LEU . 55.2 t -65.38 -48.25 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 21.0 mmm -61.01 -44.26 97.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -71.42 -61.65 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.519 ' CB ' HG21 ' A' ' 873' ' ' VAL . 16.2 mtp -54.27 -34.22 60.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.5 OUTLIER -49.79 114.81 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.37 50.56 61.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.437 ' HG2' HD11 ' A' ' 871' ' ' ILE . 19.3 ptm -107.04 162.73 13.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.355 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.2 m -95.34 137.1 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.485 HD12 HG12 ' A' ' 871' ' ' ILE . 95.5 mt -150.43 108.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp 59.6 42.51 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 66.02 48.32 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -161.75 114.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . 0.401 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.2 mm -73.07 108.02 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.927 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -92.63 151.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -114.37 148.91 36.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.519 HG21 ' CB ' ' A' ' 861' ' ' MET . 92.6 t -119.58 158.12 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.504 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -159.56 146.18 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 23.4 mm -59.61 126.87 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 10.6 t -56.64 105.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -155.37 119.02 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 14.9 t -119.71 146.87 45.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 125.35 -156.22 19.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.97 9.78 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 13.5 t -39.34 -33.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.3 t -96.38 60.91 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 45.3 p 40.61 42.43 1.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 68.0 m -95.53 41.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 99.4 -170.86 23.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 67.9 m -118.99 121.53 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.828 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 17.9 m -115.66 125.06 52.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 130.35 46.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 791' ' ' VAL . 14.6 p -165.13 121.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 792' ' ' PHE . 6.0 p90 -153.29 168.88 24.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -127.63 -44.78 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -49.43 137.73 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 5.5 t -91.99 170.8 9.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 9.3 t -118.59 132.81 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 22.1 m -98.93 -41.6 7.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.34 147.43 40.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.59 110.03 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -94.5 -29.69 14.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.444 ' CD2' ' HG2' ' A' ' 847' ' ' GLU . 39.8 p-80 -64.89 -20.55 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -79.16 153.95 29.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.824 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.824 HD22 ' CG2' ' A' ' 858' ' ' VAL . 6.5 mt -131.42 146.43 52.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.431 ' CE2' HD22 ' A' ' 843' ' ' LEU . 1.4 t80 -119.42 127.39 53.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.636 HG21 HD21 ' A' ' 808' ' ' LEU . 2.7 mt -121.13 146.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 9.7 t -146.05 161.33 40.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 76.66 22.4 72.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.642 HD23 HG21 ' A' ' 871' ' ' ILE . 40.7 mt -81.64 142.39 49.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.566 0.698 . . . . 0.0 110.954 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 125.81 12.56 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -44.96 -29.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 26.2 t -55.26 -51.93 65.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 25.4 t -51.73 161.31 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 814' ' ' LYS . 12.0 t -145.65 163.87 33.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.405 ' N ' HD11 ' A' ' 832' ' ' LEU . 15.2 tttm -37.52 -53.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 818' ' ' GLU . 36.1 mt-10 -49.94 -71.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -39.08 -58.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 817' ' ' LEU . 6.0 tp -58.34 -29.13 65.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' GLU . 10.2 tm-20 -72.1 -59.53 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -49.75 -39.83 38.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 70.9 mt -68.33 -46.24 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 62.2 m -57.17 -56.95 15.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . 0.44 ' HA ' HG23 ' A' ' 827' ' ' VAL . 0.1 OUTLIER -52.35 -17.97 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -58.99 -40.14 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -76.77 -60.97 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -135.73 -133.46 3.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 19.3 m -110.55 123.24 49.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 822' ' ' LYS . 72.3 t -91.23 103.91 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -71.67 -54.58 9.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -144.35 148.09 34.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 2.8 tt -139.24 128.32 23.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.491 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.7 ptp180 -133.29 151.25 51.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 814' ' ' LYS . 37.8 mt -114.1 126.09 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 95.1 t -77.01 100.22 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 22.9 p -111.45 -175.79 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.0 p-10 -100.7 -178.63 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -45.36 -39.69 7.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.36 30.06 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 45.44 33.56 4.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.521 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -86.42 143.19 36.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 124.16 10.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -105.81 -7.73 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.29 -23.6 31.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.431 HD22 ' CE2' ' A' ' 804' ' ' PHE . 48.4 mt -81.39 144.68 31.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.904 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -147.12 150.98 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.491 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 7.5 m-85 -120.67 142.91 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 847' ' ' GLU . 44.2 t -129.71 153.43 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 801' ' ' HIS . 0.0 OUTLIER -138.25 112.18 8.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -99.08 170.89 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.954 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -84.62 -50.34 7.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -105.41 157.36 17.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -72.58 -48.21 41.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 2.5 m -45.17 -52.85 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -53.55 -59.4 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.817 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.56 -49.78 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 23.2 t -52.78 -58.65 6.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -51.73 -56.81 11.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -43.42 -41.81 4.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.824 ' CG2' HD22 ' A' ' 803' ' ' LEU . 99.9 t -72.88 -49.65 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 11.8 mtp -55.91 -16.93 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -101.92 -49.53 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.515 ' HB3' HG21 ' A' ' 873' ' ' VAL . 7.8 mtt -65.54 -49.61 68.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.3 p-10 -34.52 108.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.06 48.48 20.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 28.6 ptm -108.56 147.92 31.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.1 m -87.15 132.17 33.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 82.6 mt -142.87 109.59 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? 58.7 41.7 21.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 67.05 39.94 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -151.29 106.19 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -68.36 115.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.791 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.0 OUTLIER -102.21 145.56 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -111.13 141.44 44.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.515 HG21 ' HB3' ' A' ' 861' ' ' MET . 25.1 t -121.45 152.73 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -154.04 145.53 23.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 31.1 mm -56.34 121.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 28.7 t -42.38 143.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -163.17 119.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.4 t -143.23 123.64 13.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 158.47 83.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 132.84 24.27 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.6 m -67.01 159.31 28.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 93.3 p -83.55 -43.08 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 13.5 m -111.72 163.54 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 72.8 m -98.55 147.36 24.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -138.11 59.23 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 18.7 m -112.01 147.26 36.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 21.4 t -100.44 114.58 28.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 149.02 157.02 7.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.7 -19.54 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 61.61 48.87 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . 0.478 ' C ' ' CD ' ' A' ' 793' ' ' ARG . 0.0 OUTLIER -84.52 -4.11 58.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -68.09 133.63 49.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 41.9 p -135.83 162.45 32.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 59.6 m -125.44 -57.34 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 75.0 m -50.27 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.678 ' O ' HD12 ' A' ' 798' ' ' LEU . 7.8 tp -106.21 2.5 26.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -108.57 93.52 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -96.82 -43.26 7.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -44.5 -47.57 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.843 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -61.83 145.78 51.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.592 HD22 ' CG2' ' A' ' 858' ' ' VAL . 14.8 mt -117.31 151.66 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -122.38 110.51 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.748 HG23 HG22 ' A' ' 873' ' ' VAL . 4.5 mt -109.0 136.52 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 78.0 p -140.28 155.69 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 95.48 -3.79 66.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.692 HD23 HG21 ' A' ' 871' ' ' ILE . 35.6 mt -61.72 143.45 93.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 164.75 33.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -75.77 -19.09 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 58.8 m -72.76 -41.06 65.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 7.8 t -51.2 154.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 9.1 t -142.07 158.07 44.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 815' ' ' GLU . 20.8 ttmt -39.2 -64.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 814' ' ' LYS . 43.9 mt-10 -36.0 -65.23 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -43.25 -68.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 817' ' ' LEU . 11.3 tp -42.19 -49.78 4.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -52.42 -58.45 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -49.56 -45.34 47.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 33.9 mt -68.9 -25.84 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.57 -56.59 4.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -55.82 -15.58 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -66.39 -30.13 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -87.49 -56.8 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . 0.426 ' CA ' ' OE1' ' A' ' 853' ' ' GLN . . . -137.72 -134.64 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 85.9 m -115.28 119.33 35.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 62.3 t -82.79 115.0 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -88.55 -36.78 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -162.04 145.08 11.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . . . . . . . . . 3.0 tt -140.25 128.9 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 9.8 ptp180 -131.89 147.6 52.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 92.3 mt -113.59 146.23 40.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 16.8 t -91.21 133.38 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 30.9 p -136.53 -178.21 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.569 ' OD1' ' HB3' ' A' ' 837' ' ' ALA . 3.5 p30 -119.6 -176.77 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -56.81 -14.18 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.569 ' HB3' ' OD1' ' A' ' 835' ' ' ASN . . . -92.23 -36.71 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 113.47 -25.28 11.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -60.37 143.94 88.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.8 18.2 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.386 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -91.33 -4.51 55.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 107.84 -38.48 3.31 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.53 139.99 57.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.7 157.2 44.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.448 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.5 m-85 -128.12 139.89 52.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 847' ' ' GLU . 26.2 t -129.87 158.2 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.48 ' N ' HG12 ' A' ' 846' ' ' VAL . 13.4 tt0 -139.6 118.61 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . 0.422 ' CE1' HD11 ' A' ' 803' ' ' LEU . 13.3 m-85 -95.63 -175.15 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -101.96 -37.51 8.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -116.82 172.87 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -83.8 -46.23 12.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 1.4 t -56.06 -50.15 71.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . 0.426 ' OE1' ' CA ' ' A' ' 825' ' ' GLY . 33.0 mt-30 -50.68 -55.25 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.551 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -53.23 -55.96 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 6.9 t -45.7 -58.78 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -51.65 -52.03 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -48.68 -40.75 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.592 ' CG2' HD22 ' A' ' 803' ' ' LEU . 46.8 t -67.85 -45.84 83.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.6 -18.02 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.764 ' HB3' HG21 ' A' ' 873' ' ' VAL . 5.1 mtt -82.16 -56.02 4.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 1.7 p-10 -34.42 113.8 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 75.26 44.04 23.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.553 ' CE ' HD11 ' A' ' 866' ' ' ILE . 28.3 ptm -108.09 154.09 22.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . 0.4 ' C ' HG13 ' A' ' 866' ' ' ILE . 7.5 m -97.43 135.23 39.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.553 HD11 ' CE ' ' A' ' 864' ' ' MET . 60.3 mt -144.08 121.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt 49.53 38.65 15.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 69.7 49.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -161.66 111.57 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.0 mt -72.64 117.62 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.754 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.2 pp -109.03 148.65 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -107.48 160.04 15.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 861' ' ' MET . 30.7 t -138.4 156.42 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.444 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -162.15 154.72 19.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 876' ' ' SER . 34.1 mm -58.31 124.29 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 875' ' ' ILE . 14.5 t -34.93 121.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -135.65 155.48 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.1 m -142.31 118.4 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 54.24 74.98 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -24.37 29.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 10.1 t -116.31 88.95 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.3 t -56.74 97.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 39.9 p -75.4 161.1 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 0.0 110.908 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 42.1 m -152.32 173.85 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 137.81 158.26 7.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 78.2 p -154.96 157.52 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 9.0 t -111.92 92.89 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . 0.402 ' C ' HG22 ' A' ' 791' ' ' VAL . . . 164.05 -79.09 0.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . 0.402 HG22 ' C ' ' A' ' 790' ' ' GLY . 35.5 m 41.08 28.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -50.27 -21.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.26 178.47 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -111.93 13.63 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 12.4 p -55.08 142.4 30.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . 0.457 HG22 ' OE2' ' A' ' 851' ' ' GLU . 35.3 p -102.33 122.31 44.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 17.8 m -81.7 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 34.2 mt -111.05 -175.86 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -97.96 86.03 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -108.15 37.59 2.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.481 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 39.5 p-80 -102.63 -44.05 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 3.5 mtpm? -57.88 161.53 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.678 HD22 HG22 ' A' ' 858' ' ' VAL . 19.9 mt -130.65 151.3 51.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.51 ' O ' ' CD2' ' A' ' 804' ' ' PHE . 16.1 t80 -126.57 98.41 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.471 HG23 HD13 ' A' ' 871' ' ' ILE . 5.0 mt -95.65 142.56 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.467 ' CB ' HD23 ' A' ' 843' ' ' LEU . 81.3 p -143.3 150.61 39.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.5 14.7 55.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.952 HD23 HG21 ' A' ' 871' ' ' ILE . 70.0 mt -75.26 141.77 74.34 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.76 31.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.42 -36.34 43.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 73.3 m -51.71 -50.87 59.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 18.6 t -51.96 159.19 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 15.2 t -142.95 165.11 28.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.609 ' HB2' HD11 ' A' ' 832' ' ' LEU . 17.7 ttmt -38.39 -58.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -44.39 -67.45 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -39.64 -64.68 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.1 tp -47.2 -57.4 5.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -46.86 -62.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -43.03 -40.2 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . 0.566 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 64.7 mt -72.17 -42.63 66.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.37 -56.83 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -53.23 -17.74 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -63.49 -33.72 76.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -83.38 -57.06 3.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -137.67 -130.49 2.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . 0.438 ' N ' ' OE1' ' A' ' 853' ' ' GLN . 58.7 m -120.16 123.12 42.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.93 108.45 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -74.06 -37.66 64.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -165.67 140.27 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 831' ' ' ARG . 4.5 tt -126.08 133.2 51.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.512 ' N ' HD23 ' A' ' 830' ' ' LEU . 2.9 tpm_? -129.5 147.0 51.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 814' ' ' LYS . 15.6 mt -115.61 124.85 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 88.2 t -72.2 100.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.9 p -112.62 165.06 12.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 835' ' ' ASN . 0.2 OUTLIER -101.31 -174.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 22.0 mmt-85 -60.18 -10.15 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -95.83 2.26 53.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 62.21 27.52 69.25 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . 0.485 ' H ' ' ND2' ' A' ' 835' ' ' ASN . 26.9 mmtt -110.8 143.9 29.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 121.8 8.51 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.75 2.3 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 15.53 12.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 90.54 -32.11 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.469 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.467 HD23 ' CB ' ' A' ' 806' ' ' SER . 23.3 mt -79.31 139.59 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -151.03 152.12 33.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -118.3 137.24 53.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 61.2 t -123.61 142.61 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -124.58 124.97 43.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -102.89 -177.61 3.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -83.17 -47.86 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 50.1 p30 -123.68 -175.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.457 ' OE2' HG22 ' A' ' 796' ' ' THR . 18.6 mt-10 -84.34 -45.04 13.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 9.6 t -42.58 -57.36 2.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 826' ' ' THR . 34.0 mt-30 -53.47 -59.03 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -43.29 -47.67 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.1 t -56.21 -57.51 11.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . 0.439 ' OE1' ' C ' ' A' ' 856' ' ' GLN . 1.3 tm0? -50.44 -56.58 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -50.75 -34.79 28.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 854' ' ' ALA . 98.5 t -71.65 -42.79 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.8 mtt -65.33 -22.01 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . 0.4 ' HA ' ' CE ' ' A' ' 860' ' ' LYS . 0.0 OUTLIER -94.27 -60.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.856 ' CB ' HG21 ' A' ' 873' ' ' VAL . 7.0 mtt -55.99 -55.14 36.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 9.7 t70 -34.54 98.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 82.21 45.87 6.83 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.494 ' CE ' HD11 ' A' ' 866' ' ' ILE . 17.0 ptm -110.29 146.07 36.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.41 138.19 31.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.494 HD11 ' CE ' ' A' ' 864' ' ' MET . 81.5 mt -147.55 110.59 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 70.2 mttt 55.35 45.31 25.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 64.59 45.42 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -158.0 110.9 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.41 120.69 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.952 HG21 HD23 ' A' ' 808' ' ' LEU . 1.2 pp -109.18 143.73 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -105.81 154.07 21.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.856 HG21 ' CB ' ' A' ' 861' ' ' MET . 39.8 t -131.06 134.68 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -134.18 147.31 50.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.697 ' CD1' HG21 ' A' ' 858' ' ' VAL . 13.2 mm -67.8 105.27 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 3.8 t -54.37 100.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -145.73 160.64 41.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 9.6 t -92.19 132.91 36.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -154.84 83.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 99.78 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.255 . . . . 0.0 112.404 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 25.8 p -160.95 159.12 29.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 13.0 t -62.85 93.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.505 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 50.1 m -93.97 162.08 14.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 42.3 t -137.22 141.54 42.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -156.31 89.4 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 26.9 t -75.72 124.18 26.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 38.4 p -108.08 176.15 5.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 119.09 -46.48 1.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 71.9 t -97.48 96.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -88.24 93.7 9.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -138.2 134.07 34.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.97 130.34 45.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 2.3 t -120.79 -42.8 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 51.1 p -88.11 -44.27 11.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 1.3 t -65.14 85.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 60.6 mt -122.9 179.53 4.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -92.07 52.44 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -114.24 71.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.401 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 11.4 p-80 -121.95 -48.5 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.401 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 50.6 mttt -62.65 148.94 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.974 HD21 ' HB1' ' A' ' 854' ' ' ALA . 6.7 mt -117.51 157.7 25.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.436 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 55.7 t80 -136.79 116.83 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.758 ' CG2' HD13 ' A' ' 871' ' ' ILE . 11.5 mt -111.71 144.25 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 3.3 p -137.6 150.44 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . 0.52 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 85.5 42.17 7.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 871' ' ' ILE . 69.9 mt -97.78 144.05 27.31 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.19 27.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -50.76 -26.93 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.0 m -63.01 -50.92 68.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 33.6 t -41.41 162.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.8 t -158.37 157.83 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 815' ' ' GLU . 2.2 tppt? -35.76 -65.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 814' ' ' LYS . 22.0 mt-10 -34.59 -63.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -49.69 -66.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.438 HD23 HD21 ' A' ' 830' ' ' LEU . 10.3 tp -46.71 -66.83 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 817' ' ' LEU . 5.1 tt0 -37.37 -50.89 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -53.98 -42.96 69.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 73.5 mt -69.57 -34.37 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.69 -59.26 3.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -13.85 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -69.62 -36.3 76.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -83.63 -54.0 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.802 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -146.9 -150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 32.9 m -90.52 133.64 34.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 64.6 t -102.92 109.07 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -80.41 -44.05 19.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -154.35 152.79 30.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.438 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -148.53 125.34 11.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.494 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 12.7 ptm180 -129.47 148.36 51.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 834' ' ' THR . 26.5 mt -119.12 120.02 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.472 HG12 ' HD3' ' A' ' 841' ' ' LYS . 39.0 t -61.98 92.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 832' ' ' LEU . 50.3 p -94.17 -176.05 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -108.9 -179.12 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.9 mtm-85 -53.63 -29.38 37.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -92.09 -28.08 17.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 120.56 -8.06 11.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 143.84 84.41 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.65 8.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HD3' HG12 ' A' ' 833' ' ' VAL . 49.5 mtpt -84.23 -15.95 45.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 110.31 -30.85 7.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.436 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 15.2 mt -82.38 124.99 30.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.93 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -126.96 132.85 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.3 m-85 -106.61 137.6 44.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.966 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 847' ' ' GLU . 47.5 t -122.6 154.43 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.433 ' N ' HG12 ' A' ' 846' ' ' VAL . 3.4 tt0 -137.43 110.21 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -92.1 -178.23 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -99.63 -34.27 10.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.75 152.6 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.85 -55.61 24.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 52.2 m -38.96 -58.19 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -47.7 -63.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.974 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -43.29 -53.35 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 1.6 t -46.72 -62.94 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -50.76 -56.17 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 861' ' ' MET . . . -46.77 -34.01 4.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.677 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -76.06 -49.14 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 56.0 mmm -57.48 -19.52 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -101.23 -44.72 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.648 ' CB ' HG21 ' A' ' 873' ' ' VAL . 2.4 mmt -68.94 -51.84 35.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.9 OUTLIER -40.5 114.26 0.44 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.48 45.62 36.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 866' ' ' ILE . 20.9 ptm -107.63 154.64 21.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.817 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.8 m -95.86 118.66 32.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.516 HD11 ' SD ' ' A' ' 864' ' ' MET . 86.4 mt -125.63 109.63 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.97 37.13 24.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 72.23 45.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -154.59 105.38 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.9 mp -65.78 107.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.812 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -98.66 146.43 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . 0.653 ' NZ ' ' HB2' ' A' ' 874' ' ' ALA . 21.8 tttm -106.68 147.52 29.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.648 HG21 ' CB ' ' A' ' 861' ' ' MET . 59.2 t -123.68 149.5 27.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.653 ' HB2' ' NZ ' ' A' ' 872' ' ' LYS . . . -155.27 146.59 22.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 876' ' ' SER . 49.4 mm -60.21 115.39 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.6 t -34.58 142.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -78.03 120.92 23.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 60.2 p -168.46 133.06 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 143.69 -158.2 27.26 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 148.58 65.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 8.4 t -72.01 91.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 19.6 m -123.28 120.23 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.457 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 8.9 t -169.71 112.37 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 37.3 p -90.22 175.31 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 119.88 59.85 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 13.4 t -127.26 86.17 2.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.838 0.351 . . . . 0.0 110.832 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 41.7 m -124.18 157.66 34.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -93.23 157.57 23.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 13.9 p -126.03 139.66 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -165.56 115.93 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 170.06 13.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -92.78 167.75 11.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 38.7 t -120.2 116.22 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 8.4 m -98.92 119.46 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 75.0 p -79.61 -34.39 40.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -58.6 -177.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.71 34.96 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -82.07 46.21 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 802' ' ' LYS . 33.2 p-80 -112.7 -49.9 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.795 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' A' ' 801' ' ' HIS . 48.0 mttt -54.38 160.85 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.895 HD22 ' CG2' ' A' ' 858' ' ' VAL . 11.5 mt -133.99 150.46 51.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.791 ' CE1' HD22 ' A' ' 843' ' ' LEU . 14.3 t80 -122.11 101.78 7.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 871' ' ' ILE . 2.5 mt -95.86 138.06 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 7.5 t -138.94 160.25 40.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 90.7 -10.84 73.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . . . . . . . . . 33.0 mt -49.71 141.6 13.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 144.38 53.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -53.46 -27.5 25.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 17.5 t -71.39 -37.92 71.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 17.1 t -39.51 141.15 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.596 HG22 ' CG ' ' A' ' 816' ' ' GLU . 6.1 t -128.11 154.3 45.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -44.93 -58.64 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -42.75 -61.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.596 ' CG ' HG22 ' A' ' 813' ' ' THR . 30.4 mm-40 -40.8 -65.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.457 HD23 HD21 ' A' ' 830' ' ' LEU . 12.2 tp -48.88 -57.32 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -41.79 -56.83 2.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.74 -43.1 62.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . 0.403 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 84.2 mt -67.8 -36.22 75.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 30.8 m -68.53 -59.54 3.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -52.75 -17.94 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -69.14 -30.39 68.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -88.89 -51.3 5.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -147.62 -155.7 6.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . 0.493 HG22 ' CE ' ' A' ' 828' ' ' LYS . 66.4 m -93.29 116.39 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.148 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.52 117.76 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . 0.493 ' CE ' HG22 ' A' ' 826' ' ' THR . 6.4 mmpt? -88.72 -40.71 13.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -160.39 145.57 14.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.457 HD21 HD23 ' A' ' 817' ' ' LEU . 2.5 tt -135.82 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 831' ' ' ARG . 0.0 OUTLIER -122.13 149.61 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 65.9 mt -113.37 133.75 54.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.449 ' HB ' ' CB ' ' A' ' 843' ' ' LEU . 72.1 t -89.92 104.74 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 16.1 p -113.98 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.158 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -103.71 -179.78 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 16.8 tpt85 -48.79 -37.2 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -97.03 36.51 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 47.73 24.23 2.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 41.1 mmtt -78.58 143.75 64.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 121.58 8.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.286 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.07 9.87 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 69.68 25.59 75.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.428 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.791 HD22 ' CE1' ' A' ' 804' ' ' PHE . 33.2 mt -128.4 144.15 51.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -157.89 141.8 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -107.6 145.01 33.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 81.3 t -124.66 150.14 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.69 114.59 15.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -98.07 177.18 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -92.86 -43.06 9.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -120.52 160.54 22.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.1 -60.41 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 75.0 m -38.31 -50.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -53.8 -52.97 58.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.752 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -50.73 -60.58 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 858' ' ' VAL . 7.6 t -44.37 -61.85 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -41.26 -52.48 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.92 71.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.895 ' CG2' HD22 ' A' ' 803' ' ' LEU . 98.6 t -71.19 -46.16 67.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 12.0 mtp -64.64 -51.13 64.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -58.48 -60.65 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.725 ' CB ' HG21 ' A' ' 873' ' ' VAL . 4.7 mtp -58.4 -44.74 89.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.8 OUTLIER -35.7 110.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 68.37 50.07 40.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 21.0 ptm -110.28 152.38 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 5.8 m -89.57 134.45 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.666 HD12 HG12 ' A' ' 871' ' ' ILE . 49.0 mt -141.4 109.64 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 28.9 mttm 55.28 40.27 31.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 71.44 40.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -149.59 112.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 870' ' ' ILE . 1.9 mp -72.07 106.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.794 ' C ' HD12 ' A' ' 871' ' ' ILE . 0.9 OUTLIER -97.55 151.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . 0.467 ' N ' HD12 ' A' ' 871' ' ' ILE . 19.0 ttmm -116.02 148.23 40.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.725 HG21 ' CB ' ' A' ' 861' ' ' MET . 78.5 t -123.08 119.06 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -120.38 154.81 34.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 25.8 mm -64.76 124.75 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 26.3 t -56.44 126.87 28.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.786 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -71.93 -61.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 1.7 t -169.74 156.24 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -59.12 156.7 24.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -7.81 22.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 38.7 m -100.67 97.48 8.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 84.6 p -50.17 128.07 18.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.915 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 49.0 m -108.28 178.01 4.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.8 t -49.69 170.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 94.45 -170.97 30.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 57.9 m -76.59 80.54 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 2.9 m -166.61 109.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 60.42 158.05 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 24.6 m -60.08 138.33 21.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.879 0.371 . . . . 0.0 111.098 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . 0.411 ' CD1' ' C ' ' A' ' 792' ' ' PHE . 1.4 p90 -102.05 144.85 30.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -125.07 -58.69 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -108.68 119.67 40.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 6.9 t -136.3 116.91 13.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.57 93.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 40.5 t -91.51 157.68 16.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 5.7 mp -121.9 146.7 46.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -94.91 99.0 11.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -125.19 23.78 7.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -83.94 -34.49 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.423 ' C ' ' HB3' ' A' ' 876' ' ' SER . 32.2 mmtt -67.81 152.73 45.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.725 HD22 HG22 ' A' ' 858' ' ' VAL . 13.7 mt -124.97 153.2 43.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.724 ' CE1' HD22 ' A' ' 843' ' ' LEU . 13.8 t80 -129.2 109.15 10.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.4 HD12 HD21 ' A' ' 817' ' ' LEU . 4.2 mt -103.85 135.49 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 91.9 p -134.19 160.14 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 92.58 -9.06 76.47 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.552 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.765 HD23 HG21 ' A' ' 871' ' ' ILE . 40.8 mt -55.64 142.7 61.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -164.05 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -97.83 -38.88 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 812' ' ' CYS . 16.0 m -56.22 -47.73 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 811' ' ' SER . 4.0 t -35.17 152.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 816' ' ' GLU . 5.2 t -145.46 156.59 43.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -41.94 -62.03 1.0 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.55 -60.55 1.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.424 ' H ' HG23 ' A' ' 813' ' ' THR . 55.1 mm-40 -43.25 -71.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.4 HD21 HD12 ' A' ' 805' ' ' ILE . 12.5 tp -44.97 -57.97 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.468 ' HB2' HD13 ' A' ' 830' ' ' LEU . 4.9 tm-20 -42.68 -49.73 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.37 -38.18 76.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.94 -32.75 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 40.5 m -71.06 -54.86 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . 0.604 ' HA ' HG23 ' A' ' 827' ' ' VAL . 0.0 OUTLIER -55.57 -16.79 4.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.73 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -76.69 -52.14 10.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.47 -157.38 7.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 90.1 m -83.64 122.66 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 822' ' ' LYS . 94.0 t -91.3 113.95 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -82.21 -49.67 9.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -151.65 157.8 42.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.468 HD13 ' HB2' ' A' ' 818' ' ' GLU . 2.8 tt -147.56 125.42 11.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -127.92 151.99 48.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.403 HD23 ' HB1' ' A' ' 844' ' ' ALA . 67.6 mt -118.53 126.47 52.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.495 HG12 ' HD3' ' A' ' 841' ' ' LYS . 41.6 t -77.6 127.98 38.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 7.4 p -131.88 -177.4 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -101.51 -179.71 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -48.34 -31.54 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -100.49 33.12 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 49.95 29.17 13.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.454 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -86.99 143.57 35.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 123.3 9.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.495 ' HD3' HG12 ' A' ' 833' ' ' VAL . 33.5 mtpt -100.07 -11.53 20.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.01 13.94 41.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.724 HD22 ' CE1' ' A' ' 804' ' ' PHE . 41.2 mt -123.18 139.36 54.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.403 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -148.39 154.73 40.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.15 138.34 52.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 28.8 t -123.41 142.42 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -122.82 124.38 43.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -104.94 -179.8 4.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -85.27 -42.72 14.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -129.34 -179.19 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -81.57 -51.27 8.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 37.0 t -38.63 -59.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -50.0 -56.75 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.651 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -45.84 -59.18 2.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 4.9 t -43.6 -57.47 3.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -53.48 -54.2 40.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.37 -34.21 56.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.725 HG22 HD22 ' A' ' 803' ' ' LEU . 59.2 t -73.08 -46.85 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 4.3 mmt -61.49 -23.21 65.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -91.88 -61.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.548 ' CB ' HG21 ' A' ' 873' ' ' VAL . 29.0 mtt -52.79 -35.79 57.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.575 ' HA ' HG23 ' A' ' 873' ' ' VAL . 3.2 t70 -51.56 122.6 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.48 92.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.565 ' HG2' HD11 ' A' ' 871' ' ' ILE . 23.5 ptm -109.57 146.81 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.7 m -89.53 129.92 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.448 HD12 HG12 ' A' ' 871' ' ' ILE . 96.4 mt -137.06 111.61 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp 58.36 36.9 25.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 72.26 48.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -158.8 107.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.3 mm -67.24 106.57 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.765 HG21 HD23 ' A' ' 808' ' ' LEU . 1.3 pp -96.75 149.0 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -111.9 156.84 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' A' ' 862' ' ' ASP . 11.9 t -126.24 149.13 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -152.03 142.68 22.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 876' ' ' SER . 47.3 mm -57.11 118.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.423 ' HB3' ' C ' ' A' ' 802' ' ' LYS . 3.6 p -35.98 118.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -104.33 110.82 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 6.1 t -105.27 91.08 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 96.51 81.66 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -15.96 37.48 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.9 t -87.92 -60.82 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 23.6 m -131.59 150.35 52.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.487 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 43.1 m -158.45 135.91 10.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 7.4 t -83.54 161.33 21.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -166.16 -179.57 39.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 1.9 m -134.57 -61.43 0.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 48.5 t -55.52 132.59 48.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -158.78 -141.49 3.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 27.4 m -97.83 142.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -173.87 156.48 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 795' ' ' SER . 80.2 mtt180 -39.56 -73.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -55.24 85.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 793' ' ' ARG . 1.3 t -101.2 84.7 2.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 8.8 t -97.82 149.03 22.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 36.1 p -47.97 121.84 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 11.7 mt -116.58 168.05 10.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -124.1 47.25 2.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -107.26 -39.57 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -43.26 -35.15 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -62.81 165.32 6.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.841 HD22 HG22 ' A' ' 858' ' ' VAL . 33.2 mt -134.63 145.87 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.529 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 42.1 t80 -121.85 104.82 9.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.543 HG23 HG22 ' A' ' 873' ' ' VAL . 3.8 mt -101.92 138.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.529 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 1.7 m -137.29 144.66 42.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . 0.412 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 91.93 40.66 5.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.82 HD23 HG21 ' A' ' 871' ' ' ILE . 48.1 mt -101.87 144.11 27.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.589 0.709 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 131.41 21.12 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -47.52 -35.47 8.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 31.7 m -54.28 -50.79 66.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 35.5 t -46.24 151.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 814' ' ' LYS . 8.9 t -138.18 157.53 46.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.3 OUTLIER -36.13 -64.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 818' ' ' GLU . 79.0 mm-40 -36.16 -68.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 13.7 mt-10 -37.41 -62.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.433 HD21 HD12 ' A' ' 805' ' ' ILE . 11.7 tp -56.91 -31.24 64.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 815' ' ' GLU . 19.4 tt0 -63.97 -57.59 9.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.4 pt-20 -55.0 -38.91 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . 0.551 ' O ' ' HB3' ' A' ' 823' ' ' ALA . 98.7 mt -70.19 -45.13 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . 0.467 ' SG ' ' HE1' ' A' ' 861' ' ' MET . 98.3 m -61.76 -55.26 32.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . 0.493 ' HA ' HG23 ' A' ' 827' ' ' VAL . 23.7 pttt -53.48 -16.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 820' ' ' ILE . . . -66.08 -46.38 77.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -66.16 -52.97 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -142.24 -126.3 2.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 88.7 m -123.59 114.42 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 111.102 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 822' ' ' LYS . 92.7 t -77.96 120.03 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -94.87 -38.34 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -157.43 145.22 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' A' ' 846' ' ' VAL . 2.4 tt -139.61 128.3 23.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.48 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 17.0 ptp180 -131.34 153.08 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 38.7 mt -118.0 123.49 45.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.01 90.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.1 p -93.99 173.6 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 838' ' ' GLY . 3.3 t-20 -94.01 173.2 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -38.84 -46.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.9 37.25 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 47.18 40.02 13.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.53 145.75 30.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 127.18 14.22 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.361 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -110.62 -8.23 14.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.83 -38.83 2.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.452 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 51.0 mt -68.22 138.96 55.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -141.17 145.69 36.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.48 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.7 m-85 -117.46 133.47 55.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . 0.409 HG22 ' HG ' ' A' ' 830' ' ' LEU . 59.1 t -123.23 151.54 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.152 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -131.52 112.49 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -93.68 172.66 8.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -84.37 -49.24 8.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -109.46 171.72 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 852' ' ' SER . 16.2 pt-20 -83.13 -47.27 11.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . 0.407 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 55.7 m -46.39 -51.77 14.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -53.59 -58.32 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -44.85 -54.45 6.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 47.3 t -48.54 -64.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -44.93 -53.47 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -54.23 -41.0 68.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.841 HG22 HD22 ' A' ' 803' ' ' LEU . 59.0 t -57.71 -45.98 86.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -58.19 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.39 -57.65 6.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.777 ' CB ' HG21 ' A' ' 873' ' ' VAL . 31.1 mtt -63.23 -45.85 89.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 0.4 OUTLIER -39.67 96.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 861' ' ' MET . . . 82.42 44.82 7.22 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 19.7 ptm -106.66 147.11 29.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . 0.4 ' C ' HG13 ' A' ' 866' ' ' ILE . 1.1 m -83.15 141.85 31.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.4 HG13 ' C ' ' A' ' 865' ' ' THR . 92.2 mt -151.62 107.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 816' ' ' GLU . 24.1 mtmm 59.37 35.44 23.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 74.42 44.05 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -155.95 112.79 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 3.6 mm -71.71 114.72 10.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.82 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -102.45 149.96 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 873' ' ' VAL . 66.1 tttt -114.87 153.15 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.777 HG21 ' CB ' ' A' ' 861' ' ' MET . 24.0 t -132.5 131.36 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -129.8 147.04 51.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.595 HD13 HG21 ' A' ' 858' ' ' VAL . 36.8 mm -59.56 114.21 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.2 t -35.04 130.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.62 141.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 59.6 p -169.41 160.58 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 138.33 145.21 4.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 98.58 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.381 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 42.1 t -67.99 81.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 84.7 p -58.66 -53.01 63.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 90.1 p -134.17 147.89 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.847 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 17.5 t -83.81 -51.61 7.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -136.64 57.99 0.66 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 22.1 m 59.54 35.91 22.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 54.7 m -60.62 126.38 27.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -94.56 162.9 24.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 35.4 m -105.67 39.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 111.094 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -74.96 175.84 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.54 -47.78 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -104.36 127.66 52.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 60.6 p -60.18 126.65 28.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 88.3 m -107.35 97.79 7.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 64.8 m -80.48 -43.77 20.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 799' ' ' GLU . 1.0 OUTLIER -40.81 142.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . 0.695 ' O ' HD12 ' A' ' 798' ' ' LEU . 1.1 pm0 -34.82 117.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 25.72 5.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -93.75 -46.67 7.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -56.69 179.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.886 HD21 ' HB1' ' A' ' 854' ' ' ALA . 14.2 mt -146.68 153.59 40.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.59 ' CE2' HD22 ' A' ' 843' ' ' LEU . 3.1 t80 -127.7 134.06 49.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.558 HG23 ' O ' ' A' ' 872' ' ' LYS . 10.0 mt -132.98 146.81 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.177 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 72.7 p -138.53 155.76 48.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 871' ' ' ILE . . . 78.88 55.93 3.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.603 HD23 HG21 ' A' ' 871' ' ' ILE . 42.7 mt -110.91 143.14 27.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.717 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 810' ' ' PHE . 53.5 Cg_endo -69.75 118.69 5.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 809' ' ' PRO . 22.6 m-85 -36.96 -35.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 40.8 m -57.27 -50.81 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 38.8 t -41.14 150.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 11.3 t -138.02 159.09 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 815' ' ' GLU . 36.9 ttmt -44.06 -63.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 814' ' ' LYS . 17.4 mt-10 -35.41 -66.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -40.8 -72.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 818' ' ' GLU . 12.0 tp -46.4 -63.6 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 817' ' ' LEU . 28.4 tt0 -35.67 -54.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.86 -54.29 44.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 37.3 mt -54.99 -33.95 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 87.4 m -66.55 -44.98 80.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -52.23 -35.71 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -52.98 -39.55 63.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 93.5 m-70 -75.27 -56.84 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -150.9 -155.56 6.97 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 23.8 m -93.39 118.54 31.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 111.18 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.84 112.03 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -79.83 -35.73 37.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -168.67 156.45 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 831' ' ' ARG . 3.4 tt -143.92 134.0 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.518 ' N ' HD23 ' A' ' 830' ' ' LEU . 4.1 ptp180 -131.27 150.1 52.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 85.8 mt -118.02 144.62 45.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.45 HG12 ' HG3' ' A' ' 841' ' ' LYS . 60.5 t -88.5 115.25 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.084 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 71.3 p -112.48 -176.94 3.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 838' ' ' GLY . 62.8 t30 -122.02 174.23 7.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -44.03 -41.0 5.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.4 ' O ' ' CE ' ' A' ' 839' ' ' LYS . . . -90.0 31.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 52.34 23.2 12.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 837' ' ' ALA . 6.6 mmpt? -85.64 141.32 36.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 114.14 3.61 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.252 . . . . 0.0 112.367 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.45 ' HG3' HG12 ' A' ' 833' ' ' VAL . 2.6 mmmm -71.41 -18.36 62.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.43 -31.38 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.59 HD22 ' CE2' ' A' ' 804' ' ' PHE . 23.0 mt -70.86 155.39 40.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -150.21 128.32 11.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.494 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.5 m-85 -108.27 133.97 51.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 48.4 t -118.78 150.42 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -128.73 112.39 14.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -100.25 177.28 5.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -89.27 -45.49 9.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -117.27 141.48 48.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.89 -44.53 78.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 19.3 m -48.72 -57.39 6.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -49.97 -48.69 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.886 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -55.23 -44.71 75.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 14.7 t -55.29 -61.04 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -49.87 -57.13 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.407 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -45.8 -39.47 8.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.863 ' CG2' HD22 ' A' ' 803' ' ' LEU . 89.3 t -69.82 -53.41 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 23.4 mtm -51.67 -23.18 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -93.44 -46.77 7.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 862' ' ' ASP . 7.7 mtt -69.93 -57.02 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 862' ' ' ASP . 0.4 OUTLIER -34.41 114.93 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 72.88 45.13 34.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.495 ' HG2' HD11 ' A' ' 871' ' ' ILE . 27.1 ptm -109.12 167.56 10.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 7.2 m -106.36 131.72 53.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 86.8 mt -143.1 106.57 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp 62.87 40.3 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 67.3 44.57 1.8 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -153.18 109.66 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 870' ' ' ILE . 7.8 mm -69.16 110.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.764 ' C ' HD12 ' A' ' 871' ' ' ILE . 1.1 pp -96.6 146.1 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' ' 805' ' ' ILE . 21.9 tttp -110.01 150.08 29.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.958 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.664 ' CG1' HG13 ' A' ' 858' ' ' VAL . 74.9 t -126.87 148.33 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -155.19 137.52 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 33.2 mm -56.36 121.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 9.7 p -38.67 156.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -166.04 126.28 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 3.2 m -118.86 136.75 53.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -151.79 83.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 85.13 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.367 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 7.2 t 51.85 44.72 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 100.0 p -93.58 -41.35 9.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 68.8 m 39.5 50.36 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 82.7 p -92.54 120.86 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -105.63 -41.52 1.85 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 5.2 t -94.33 143.69 26.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 110.841 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 19.3 m 65.55 43.27 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -106.18 -124.29 5.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 88.8 t -110.44 135.41 49.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -156.27 134.11 11.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 14.5 ptt-85 -76.91 166.14 23.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -119.1 94.59 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 57.3 m -113.29 146.36 39.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 71.5 p -121.26 40.08 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 94.6 p -105.86 163.3 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 6.1 mp -123.12 44.79 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.66 80.18 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -107.31 -40.73 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.47 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 3.4 p-80 -48.04 -34.25 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.47 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 15.1 mtpt -80.34 151.74 29.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.774 HD21 ' HB1' ' A' ' 854' ' ' ALA . 11.6 mt -124.29 159.1 31.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 804' ' ' PHE . 2.4 t80 -128.97 114.0 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.519 HG12 HG13 ' A' ' 873' ' ' VAL . 5.2 mt -108.49 150.1 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . . . . . . . . . 90.6 p -148.7 156.35 42.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 81.15 32.32 32.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.799 HD23 HG21 ' A' ' 871' ' ' ILE . 75.8 mt -91.22 143.17 27.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 141.73 46.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.54 -22.05 64.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 4.0 t -64.59 -48.2 75.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 2.9 t -50.35 170.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 13.5 t -148.92 170.3 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -47.96 -58.06 4.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 816' ' ' GLU . 49.6 mt-10 -40.83 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 819' ' ' GLU . 38.1 mm-40 -36.46 -58.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.609 HD23 HD21 ' A' ' 830' ' ' LEU . 7.3 tp -54.14 -41.77 68.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 815' ' ' GLU . 1.2 tp10 -60.46 -60.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 816' ' ' GLU . 8.2 pt-20 -51.83 -46.4 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.21 -31.93 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 96.6 m -78.93 -36.7 41.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -58.18 -26.97 63.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -67.79 -45.68 74.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -66.26 -49.28 67.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -165.57 -153.98 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 52.4 m -87.49 129.53 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.822 0.344 . . . . 0.0 111.184 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.93 116.72 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -84.79 -44.56 13.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -161.4 145.8 13.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.609 HD21 HD23 ' A' ' 817' ' ' LEU . 2.6 tt -137.26 129.05 28.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 24.0 ptt180 -135.84 152.63 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.24 144.36 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 93.6 t -87.11 133.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 28.5 p -133.29 -177.98 4.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -110.74 -176.29 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 12.9 ttm-85 -56.11 -38.91 71.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -89.99 25.26 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 56.35 30.37 58.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -89.07 141.4 29.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 130.19 18.86 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -97.38 -18.63 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 102.68 -11.39 56.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.61 151.15 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -144.66 135.38 24.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.457 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 11.8 m-85 -105.94 125.77 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 43.4 t -114.0 150.75 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -137.54 106.66 6.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -88.74 -178.98 5.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.0 -38.82 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -120.63 159.26 25.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 852' ' ' SER . 14.2 pt-20 -71.14 -44.24 65.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 70.8 m -48.75 -59.04 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -47.42 -58.61 3.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.774 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.64 -53.9 6.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 32.5 t -49.25 -59.68 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -49.72 -52.08 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -53.9 -32.04 52.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.082 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.719 ' CG2' HD22 ' A' ' 803' ' ' LEU . 86.3 t -72.93 -42.69 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.19 -23.84 66.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -90.02 -57.38 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.738 ' CB ' HG21 ' A' ' 873' ' ' VAL . 11.2 mmm -60.15 -51.92 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 30.4 t70 -37.71 105.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 78.65 46.26 8.83 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.532 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.438 ' HG2' HD11 ' A' ' 871' ' ' ILE . 16.8 ptm -108.61 152.06 25.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 2.0 m -94.63 133.15 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . . . . . . . . . 83.4 mt -140.02 107.08 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt 57.82 41.59 24.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 69.23 42.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -150.38 105.72 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 1.9 mp -68.66 112.17 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.799 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -102.12 142.96 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -103.73 155.99 18.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.738 HG21 ' CB ' ' A' ' 861' ' ' MET . 5.2 t -139.67 144.36 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -157.54 151.75 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.1 130.67 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 7.5 p -56.72 113.08 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . 0.493 ' O ' ' ND2' ' A' ' 877' ' ' ASN . 4.1 p-10 -132.08 92.08 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 70.8 p -37.46 107.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -147.22 178.12 25.05 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 3.9 t -60.22 151.64 26.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 8.5 t -41.1 -49.74 3.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 44.5 m -149.29 113.82 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 4.0 m -129.89 152.79 48.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . -55.99 127.17 42.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 35.9 t -114.74 115.64 27.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 5.0 m -99.58 -46.31 5.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . 88.0 -89.47 1.61 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 33.0 m -87.45 145.87 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.45 135.65 54.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -130.86 93.45 3.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -86.59 104.85 16.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 77.8 p -73.08 -31.86 64.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 67.7 p -129.19 91.49 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 49.9 m -73.86 84.3 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -77.84 -176.4 4.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -87.95 47.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -89.8 43.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.542 ' CE1' ' HG3' ' A' ' 802' ' ' LYS . 22.0 p-80 -105.13 -37.37 6.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . 0.542 ' HG3' ' CE1' ' A' ' 801' ' ' HIS . 33.4 mtpt -69.35 159.12 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 1.049 HD21 ' HB1' ' A' ' 854' ' ' ALA . 9.6 mt -133.85 165.52 24.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 843' ' ' LEU . 3.7 t80 -137.76 136.61 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.668 ' CG2' HD13 ' A' ' 871' ' ' ILE . 8.2 mt -133.06 138.55 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.406 ' HB3' ' CZ ' ' A' ' 804' ' ' PHE . 87.8 p -135.84 161.0 36.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 77.46 36.89 32.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.488 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.945 HD23 HG21 ' A' ' 871' ' ' ILE . 40.9 mt -97.36 143.91 27.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 110.953 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.36 17.38 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -44.0 -35.29 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 89.7 p -53.44 -51.05 63.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 1.9 t -39.82 156.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 814' ' ' LYS . 14.7 t -149.09 158.86 44.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 813' ' ' THR . 0.0 OUTLIER -35.68 -65.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 816' ' ' GLU . 3.7 mp0 -36.52 -71.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 815' ' ' GLU . 38.3 mm-40 -36.04 -67.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.538 HD23 HD21 ' A' ' 830' ' ' LEU . 10.4 tp -47.22 -61.18 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.88 -54.04 3.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.99 -34.13 69.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 83.3 mt -76.4 -29.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . . . . . . . . . 92.9 m -81.02 -60.43 2.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 822' ' ' LYS . 0.0 OUTLIER -44.43 -28.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.93 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -71.56 -54.58 10.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.57 4.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . 0.516 ' O ' ' CD2' ' A' ' 848' ' ' TYR . 99.5 m -96.23 131.87 42.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 111.095 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 822' ' ' LYS . 89.8 t -100.1 104.26 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -70.07 -42.22 73.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -162.19 147.26 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.538 HD21 HD23 ' A' ' 817' ' ' LEU . 2.4 tt -136.24 127.87 28.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 845' ' ' TYR . 8.7 ptp85 -128.76 145.47 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.433 HD11 ' CA ' ' A' ' 814' ' ' LYS . 43.2 mt -119.64 123.28 43.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . 0.467 HG12 ' HD3' ' A' ' 841' ' ' LYS . 89.8 t -67.37 111.37 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 32.2 p -105.87 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -109.57 -175.02 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -58.63 -35.19 72.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 11.26 21.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . . . . . . . . . . . 73.27 32.13 60.52 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -101.51 142.11 23.94 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.617 0.722 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 115.3 4.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.467 ' HD3' HG12 ' A' ' 833' ' ' VAL . 26.8 mtpp -76.85 -16.33 59.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 118.77 -42.51 1.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 804' ' ' PHE . 62.6 mt -65.91 136.76 56.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.919 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -136.32 128.51 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.066 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . 0.493 ' HB2' ' CG ' ' A' ' 831' ' ' ARG . 12.8 m-85 -102.65 137.73 40.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 28.2 t -126.85 145.93 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -131.62 111.21 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 826' ' ' THR . 16.7 m-85 -92.25 -176.57 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -95.02 -43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.478 ' OD1' ' NE2' ' A' ' 853' ' ' GLN . 0.4 OUTLIER -117.83 149.99 39.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -61.21 -52.94 62.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 78.6 p -44.78 -57.43 3.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . 0.478 ' NE2' ' OD1' ' A' ' 850' ' ' ASN . 30.2 mt-30 -48.17 -48.32 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 1.049 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -61.49 -51.91 66.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 46.3 t -45.94 -54.32 8.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -55.59 -52.87 62.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -51.82 -30.75 24.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.687 ' CG2' HD22 ' A' ' 803' ' ' LEU . 85.8 t -73.23 -49.23 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 41.2 mtm -58.52 -26.94 64.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -89.76 -60.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.692 ' CB ' HG21 ' A' ' 873' ' ' VAL . 36.3 mmm -55.23 -45.09 75.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 14.8 t70 -43.47 110.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 67.58 49.1 52.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.4 ' SD ' HD11 ' A' ' 866' ' ' ILE . 23.1 ptm -108.76 166.59 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 4.0 m -99.2 135.7 40.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.516 HD12 HG12 ' A' ' 871' ' ' ILE . 96.2 mt -149.37 111.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.136 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt 60.34 38.55 19.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.0 46.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -157.92 116.5 3.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 8.8 mm -71.14 115.05 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.945 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -103.69 145.77 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -106.03 145.76 30.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.692 HG21 ' CB ' ' A' ' 861' ' ' MET . 54.7 t -127.84 143.18 41.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.087 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -147.6 148.58 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.555 HD13 HG21 ' A' ' 858' ' ' VAL . 47.7 mm -61.43 126.82 20.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . . . . . . . . . 23.2 t -43.21 145.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -68.05 120.77 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 43.1 m -92.39 -54.41 3.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 172.75 146.28 5.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -40.11 5.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 1.1 t -43.68 118.62 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 82.7 p -57.82 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 19.5 m 42.37 41.96 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 3.4 t -117.61 132.92 56.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 75.35 92.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 27.4 p -76.91 105.56 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.821 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 44.8 t -60.5 136.29 58.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -159.84 46.74 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 10.5 p -154.11 138.01 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -123.82 132.22 53.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -98.6 -176.27 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 794' ' ' TYR . 1.0 OUTLIER -128.7 133.9 48.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 42.7 t -136.77 143.01 43.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 21.3 p -67.07 -6.07 15.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.12 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 5.2 t -135.69 136.45 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.1 114.62 23.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -110.12 -25.48 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -49.91 -34.02 19.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -45.75 -23.73 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -79.93 166.59 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 1.027 HD21 ' HB1' ' A' ' 854' ' ' ALA . 9.5 mt -137.31 164.21 29.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.518 ' CE2' ' OG ' ' A' ' 806' ' ' SER . 74.7 t80 -136.2 128.05 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.552 HG23 HD13 ' A' ' 871' ' ' ILE . 7.9 mt -124.96 134.75 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.518 ' OG ' ' CE2' ' A' ' 804' ' ' PHE . 5.0 m -135.37 151.29 50.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 85.27 33.17 18.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.897 HD23 HG21 ' A' ' 871' ' ' ILE . 30.7 mt -92.98 143.19 26.42 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.593 0.711 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.07 16.94 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -46.24 -45.27 16.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 66.6 m -39.06 -51.01 1.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 4.8 t -54.1 170.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . . . . . . . . . 8.9 t -158.43 176.49 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . . . . . . . . . 28.1 tttt -50.2 -44.05 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.95 -64.77 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -50.7 -56.82 10.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.34 -65.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . 0.443 ' C ' ' OE1' ' A' ' 818' ' ' GLU . 0.0 OUTLIER -38.29 -44.95 0.93 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -57.75 -59.26 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 57.6 mt -47.76 -39.37 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . 0.442 ' CB ' HG21 ' A' ' 827' ' ' VAL . 89.1 m -62.52 -49.61 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -50.25 -35.55 27.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.21 41.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 857' ' ' ALA . 81.7 m-70 -70.08 -58.21 4.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -148.41 -147.35 4.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . 0.458 HG21 ' OE1' ' A' ' 849' ' ' GLU . 99.8 m -98.82 128.37 45.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 111.138 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.442 HG21 ' CB ' ' A' ' 821' ' ' CYS . 51.2 t -101.85 111.94 33.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -73.89 -38.59 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -169.82 144.74 2.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.642 HD23 ' N ' ' A' ' 831' ' ' ARG . 5.5 tt -118.65 139.21 51.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . 0.642 ' N ' HD23 ' A' ' 830' ' ' LEU . 18.4 mmt180 -122.88 138.02 54.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.558 HD23 ' HB1' ' A' ' 844' ' ' ALA . 23.7 mt -120.31 122.65 41.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 64.3 t -77.16 114.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 80.6 p -121.16 172.86 7.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 838' ' ' GLY . 5.9 p-10 -94.61 175.22 6.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -40.07 -42.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.02 34.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 41.64 45.57 4.55 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -96.88 142.52 24.66 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 118.22 5.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -103.85 -1.95 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.25 2.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . . . . . . . . . 15.9 mt -66.87 132.55 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.558 ' HB1' HD23 ' A' ' 832' ' ' LEU . . . -155.23 145.9 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -108.76 155.84 20.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.79 143.84 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -125.63 105.94 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -89.31 178.67 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . 0.458 ' OE1' HG21 ' A' ' 826' ' ' THR . 24.7 tt0 -73.86 -49.62 24.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -125.91 -175.63 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -78.98 -44.0 23.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 17.1 t -43.74 -64.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -44.28 -55.56 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 1.027 ' HB1' HD21 ' A' ' 803' ' ' LEU . . . -44.29 -53.93 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 7.7 t -51.98 -61.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -47.67 -57.04 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . 0.451 ' HA ' ' CG ' ' A' ' 824' ' ' HIS . . . -52.44 -33.01 42.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 854' ' ' ALA . 69.6 t -72.3 -45.37 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 38.2 mtp -60.6 -29.29 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 824' ' ' HIS . 6.7 mmmm -88.25 -55.62 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.674 ' HB3' HG21 ' A' ' 873' ' ' VAL . 6.2 mmt -58.73 -46.33 87.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 858' ' ' VAL . 7.4 t70 -43.21 112.16 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 65.01 49.85 60.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . . . . . . . . . 18.0 ptm -110.59 156.01 21.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 130.27 42.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.407 HD12 HG12 ' A' ' 871' ' ' ILE . 97.1 mt -136.68 111.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 30.9 mttm 53.07 40.76 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 71.97 46.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -156.67 114.97 3.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 870' ' ' ILE . 2.2 mm -76.65 105.61 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.117 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.897 HG21 HD23 ' A' ' 808' ' ' LEU . 1.0 OUTLIER -95.4 144.85 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -106.37 148.33 28.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.674 HG21 ' HB3' ' A' ' 861' ' ' MET . 64.5 t -134.44 148.5 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -160.24 155.25 24.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 876' ' ' SER . 12.2 mm -56.64 123.28 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 875' ' ' ILE . 4.0 p -37.55 149.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -130.59 96.34 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 13.6 t -91.73 -57.51 2.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . 96.41 83.67 1.68 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 167.9 23.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 15.6 m -66.51 103.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 14.5 t -80.91 83.27 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' SER . . . . . . . . . . . . . 31.0 t -136.52 134.1 37.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' SER . . . . . . . . . . . . . 15.3 m -60.8 135.34 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' GLY . . . . . . . . . . . . . . . 169.1 -104.78 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' SER . . . . . . . . . . . . . 54.3 m 45.62 42.07 7.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.884 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' SER . . . . . . . . . . . . . 52.6 p -115.85 118.34 32.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' GLY . . . . . . . . . . . . . . . -45.94 162.93 0.13 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.4 137.49 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -118.85 105.15 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -100.53 88.99 3.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -117.19 160.65 20.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' SER . . . . . . . . . . . . . 71.2 m -82.43 -47.86 11.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' THR . . . . . . . . . . . . . 52.1 m -118.26 124.11 47.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' SER . . . . . . . . . . . . . 20.9 t -46.38 100.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' LEU . . . . . . . . . . . . . 11.5 mt -74.32 167.17 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.58 109.62 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 801' ' ' HIS . 12.9 tttm -105.36 -47.4 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 800' ' ' LYS . 8.1 p-80 -38.01 -43.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -53.96 162.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' LEU . . . . . 0.825 HD22 ' CG2' ' A' ' 858' ' ' VAL . 8.6 mt -137.67 143.13 41.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' PHE . . . . . 0.768 ' CE1' HD22 ' A' ' 843' ' ' LEU . 13.0 t80 -113.89 117.42 31.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.645 HG12 HG13 ' A' ' 873' ' ' VAL . 2.1 mt -113.72 148.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 843' ' ' LEU . 64.5 p -149.48 156.73 42.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' GLY . . . . . . . . . . . . . . . 86.4 27.56 29.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' LEU . . . . . 0.831 HD23 HG21 ' A' ' 871' ' ' ILE . 33.6 mt -89.49 143.89 31.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.88 24.36 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.254 . . . . 0.0 112.352 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -47.14 -41.44 17.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.9 m -50.64 -46.7 58.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' CYS . . . . . . . . . . . . . 51.1 t -53.19 149.41 7.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 814' ' ' LYS . 0.1 OUTLIER -128.87 170.38 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' ' 832' ' ' LEU . 0.7 OUTLIER -53.43 -57.14 11.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -43.64 -58.99 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -42.82 -44.69 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' LEU . . . . . 0.577 HD23 HD21 ' A' ' 830' ' ' LEU . 11.9 tp -70.01 -35.21 74.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.73 -60.41 3.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.63 -40.55 92.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' ILE . . . . . . . . . . . . . 89.9 mt -66.24 -25.8 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' CYS . . . . . 0.436 ' HG ' ' HG ' ' A' ' 817' ' ' LEU . 75.8 m -87.88 -24.68 23.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -63.26 -41.44 99.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' ALA . . . . . . . . . . . . . . . -46.98 -50.2 19.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -61.99 -55.23 31.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' GLY . . . . . . . . . . . . . . . -157.99 -158.14 8.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' THR . . . . . . . . . . . . . 94.7 m -85.31 130.61 34.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.363 . . . . 0.0 111.145 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 76.5 t -97.3 105.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -75.73 -39.29 57.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -163.21 158.98 22.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' LEU . . . . . 0.577 HD21 HD23 ' A' ' 817' ' ' LEU . 2.4 tt -147.96 125.4 11.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -128.77 147.95 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 814' ' ' LYS . 11.9 mt -115.52 125.21 52.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' VAL . . . . . . . . . . . . . 60.5 t -74.56 82.55 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' THR . . . . . . . . . . . . . 55.4 p -90.57 179.62 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 838' ' ' GLY . 4.0 p-10 -96.36 175.61 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -40.36 -42.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -90.01 34.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 835' ' ' ASN . . . 42.52 41.46 4.17 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -94.0 144.11 27.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 116.81 4.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -100.05 -6.13 26.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' GLY . . . . . . . . . . . . . . . 104.53 -34.32 5.88 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' LEU . . . . . 0.768 HD22 ' CE1' ' A' ' 804' ' ' PHE . 31.2 mt -72.11 148.18 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -155.43 143.58 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -114.59 137.45 51.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.27 149.84 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -133.54 100.21 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -82.49 -176.85 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -91.26 -43.81 9.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -122.75 170.66 9.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.92 -40.83 60.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' SER . . . . . . . . . . . . . 18.3 m -50.02 -56.94 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -52.22 -52.64 51.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' ALA . . . . . 0.874 ' O ' HG23 ' A' ' 858' ' ' VAL . . . -48.2 -47.59 35.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.08 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' SER . . . . . . . . . . . . . 31.0 t -57.2 -55.6 32.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -56.02 -51.66 67.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.34 35.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 854' ' ' ALA . 24.6 t -73.96 -47.41 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' MET . . . . . . . . . . . . . 29.9 mmm -60.08 -17.19 37.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -101.5 -43.43 5.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' MET . . . . . 0.698 ' HB3' HG21 ' A' ' 873' ' ' VAL . 6.5 mtt -71.72 -50.67 28.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 861' ' ' MET . 3.0 p-10 -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' GLY . . . . . . . . . . . . . . . 73.02 47.4 24.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' MET . . . . . 0.517 ' SD ' HD11 ' A' ' 866' ' ' ILE . 24.0 ptm -103.44 155.57 18.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' THR . . . . . . . . . . . . . 1.5 m -97.39 129.38 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' ILE . . . . . 0.517 HD11 ' SD ' ' A' ' 864' ' ' MET . 73.7 mt -138.37 105.71 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.23 48.62 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 63.27 48.33 3.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.58 113.09 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' ILE . . . . . . . . . . . . . 7.4 mm -76.84 115.73 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.831 HG21 HD23 ' A' ' 808' ' ' LEU . 1.1 pp -103.83 144.36 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -112.2 140.98 46.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' VAL . . . . . 0.698 HG21 ' HB3' ' A' ' 861' ' ' MET . 6.1 t -119.43 165.46 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.522 ' N ' HG12 ' A' ' 873' ' ' VAL . . . -160.1 153.72 22.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.076 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' ILE . . . . . 0.474 HD13 HG21 ' A' ' 858' ' ' VAL . 49.5 mm -74.04 115.72 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 875' ' ' ILE . 46.6 t -36.44 118.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -165.25 153.16 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' SER . . . . . . . . . . . . . 58.0 m -167.39 167.56 13.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' GLY . . . . . . . . . . . . . . . -160.35 -95.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 134.18 27.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' SER . . . . . . . . . . . . . 86.7 p -96.8 -44.78 6.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' SER . . . . . . . . . . . . . 3.5 m -86.76 129.54 34.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.986 . . . . . . . . 0 0 . 1 stop_ save_