data_2k0j_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 2k0j _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 full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.737 0.303 . . . . 56.38 110.702 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -74.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.884 -0.598 . . . . 55.12 110.357 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp 68.07 105.95 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.908 0.755 . . . . 45.79 111.32 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' HG1' ' H ' ' A' ' 8' ' ' GLN . 71.9 p -92.72 165.91 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 37.31 111.186 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 33.93 111.165 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -70.35 -33.48 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 30.24 110.716 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' H ' ' HG1' ' A' ' 5' ' ' THR . 55.2 tt0 -62.73 -51.56 66.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 37.97 110.574 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.99 -34.9 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.051 -0.522 . . . . 32.85 111.547 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -42.64 96.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.453 . . . . 33.67 111.306 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.38 -43.41 97.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 40.98 111.49 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -67.43 -44.83 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 40.47 111.481 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.14 -38.02 78.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.17 -0.468 . . . . 40.98 111.842 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 31.6 tt0 -65.91 -45.48 81.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 45.14 110.354 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 37.39 111.492 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -65.09 -36.51 84.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.169 -0.469 . . . . 37.68 111.933 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -70.74 -34.89 72.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.295 . . . . 36.9 110.562 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 14' ' ' GLU . 46.0 mt -70.11 -34.32 72.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.19 -0.459 . . . . 40.11 110.876 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' HE2' HD12 ' A' ' 32' ' ' LEU . 6.8 m-85 -71.51 -58.44 3.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 37.29 110.676 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 88.97 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.23 -0.441 . . . . 38.11 111.409 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.02 -37.04 81.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.01 -0.541 . . . . 43.27 111.814 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.79 -10.05 44.26 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.098 -0.241 . . . . 43.9 111.398 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.99 94.42 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.271 -0.49 . . . . 40.37 113.751 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -12.06 28.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.262 0.531 . . . . 42.2 110.685 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.39 -4.84 54.81 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.722 -0.752 . . . . 40.25 113.778 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -127.15 138.1 53.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.156 0.478 . . . . 40.27 110.889 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.655 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 47.7 mt -105.65 114.55 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 39.08 110.827 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.4 p -90.03 179.72 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 37.22 110.585 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.4 p -68.84 -25.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 39.63 110.817 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -71.11 -42.09 69.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 43.2 110.85 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -74.34 -45.17 48.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 37.46 110.878 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD12 ' HE2' ' A' ' 19' ' ' PHE . 30.6 tp -62.07 -40.35 95.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 37.66 110.872 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.26 -29.62 68.25 Favored Glycine 0 C--O 1.227 -0.32 0 CA-C-N 115.809 -0.632 . . . . 35.01 113.349 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 m -64.79 -41.11 96.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.717 0.294 . . . . 33.9 111.71 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 47.0 t -69.24 -43.23 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 35.22 111.39 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.43 ' HE3' ' SD ' ' A' ' 51' ' ' MET . 49.3 mtt -70.78 -30.11 66.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 43.42 111.711 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 6.2 tpp180 -69.86 -34.32 73.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 38.3 111.124 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.494 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 83.6 p -79.58 -16.12 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 39.58 111.233 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 HD23 ' A' ' 112' ' ' LEU . 51.1 mt -88.76 8.03 30.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.454 -0.339 . . . . 41.43 111.36 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.51 27.33 30.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 41.29 113.356 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.6 mt-30 -122.92 159.8 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.918 -0.401 . . . . 44.5 109.918 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -132.43 74.06 76.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 112.033 0.382 . . . . 42.02 112.033 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.0 131.87 6.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.504 2.136 . . . . 37.52 111.747 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -82.44 174.16 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 35.57 111.764 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -54.76 -45.23 74.18 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.65 -0.704 . . . . 38.35 111.771 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.49 80.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.395 -0.366 . . . . 33.09 111.666 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.89 -45.3 71.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 35.62 110.874 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.87 -34.81 79.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.821 -0.627 . . . . 35.26 111.69 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -65.6 -42.45 91.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 38.06 111.098 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -58.91 -37.24 76.18 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.372 -0.377 . . . . 34.97 111.606 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.43 ' SD ' ' HE3' ' A' ' 36' ' ' MET . 31.9 mtt -65.31 -39.4 92.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 38.87 111.002 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.401 HG12 HD13 ' A' ' 63' ' ' ILE . 40.3 mt -70.37 -41.99 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.821 -0.627 . . . . 39.79 111.655 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -64.28 -29.91 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 37.82 112.052 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.77 -34.27 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.504 -0.316 . . . . 45.46 111.755 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.742 HG13 ' HB2' ' A' ' 71' ' ' MET . 33.0 m -109.56 8.92 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.985 0.365 . . . . 37.34 111.985 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.97 92.69 2.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 40.95 111.206 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.4 -46.22 64.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.966 -0.561 . . . . 43.37 111.315 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -9.5 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.419 -0.355 . . . . 44.76 111.366 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.84 34.88 83.78 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.825 -0.703 . . . . 43.52 113.518 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -79.38 -5.85 55.5 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.113 0.457 . . . . 42.55 111.773 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.98 -10.24 72.17 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.815 -0.707 . . . . 39.46 113.876 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.5 p -127.42 172.62 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.142 0.471 . . . . 37.42 111.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.655 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 32.0 mt -100.41 112.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 38.58 111.135 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.13 -175.35 5.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.4 -0.364 . . . . 42.25 110.547 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 60.6 t80 -63.81 -54.32 42.57 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.505 -0.316 . . . . 37.01 111.783 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 31.5 Cg_endo -63.92 -32.51 65.77 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.144 1.896 . . . . 34.65 112.493 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -68.46 -31.7 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 36.3 110.989 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -74.37 -34.34 63.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 36.39 110.842 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 65' ' ' PHE . 25.1 mt -61.6 -40.68 95.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.186 -0.461 . . . . 34.57 110.298 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 24.8 m -68.53 -39.88 80.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.645 -0.707 . . . . 38.86 110.957 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.742 ' HB2' HG13 ' A' ' 55' ' ' VAL . 45.8 ttm -59.64 -45.23 92.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 44.1 111.575 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtp -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 40.68 111.448 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.69 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 39.77 111.443 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.565 ' O ' ' HB3' ' A' ' 78' ' ' ASP . 97.2 mtt180 -80.59 -32.49 36.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.328 . . . . 45.42 111.747 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -92.88 -45.41 8.0 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.412 0.523 . . . . 51.43 112.412 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.4 mmm -86.0 -6.16 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.003 0.742 . . . . 61.42 113.003 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -145.0 57.73 1.28 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.921 -0.312 . . . . 59.03 111.251 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.565 ' HB3' ' O ' ' A' ' 74' ' ' ARG . 33.4 t70 178.42 -57.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 61.1 109.774 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.9 p -99.87 -171.82 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.674 -0.694 . . . . 62.06 110.686 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 70.0 89.97 0.1 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.786 0.679 . . . . 63.19 111.098 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.9 m -143.25 -54.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 60.03 110.195 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.49 138.94 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.763 -0.653 . . . . 57.85 109.753 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.22 12.06 8.3 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.61 0.569 . . . . 55.18 111.255 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -122.38 -27.62 4.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.18 -0.464 . . . . 52.47 110.22 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.6 mt -79.42 -27.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.868 -0.605 . . . . 49.66 109.586 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -68.06 -31.94 71.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.121 -0.945 . . . . 50.11 110.318 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.83 -37.98 76.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.946 -0.57 . . . . 45.58 110.193 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.03 -32.68 67.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 43.21 110.744 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -66.62 -35.35 79.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.89 -0.595 . . . . 41.52 110.356 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 90' ' ' ARG . 37.2 ttm180 -68.47 -22.42 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.62 -0.718 . . . . 40.8 111.364 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.0 t -70.78 -40.53 76.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.261 -0.427 . . . . 39.41 110.714 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.729 ' HA ' HG23 ' A' ' 108' ' ' VAL . 99.2 m-85 -78.14 -53.73 7.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.261 0.553 . . . . 38.44 109.628 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' HB2' HG12 ' A' ' 100' ' ' ILE . 46.8 t0 -87.53 84.5 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 39.57 109.984 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.29 -46.02 90.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.27 0.841 . . . . 38.14 113.27 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -10.5 59.87 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.347 0.499 . . . . 37.52 112.347 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 57.71 49.99 69.34 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 121.134 -0.555 . . . . 36.57 114.074 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -94.66 -3.45 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.458 0.629 . . . . 35.32 110.82 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.17 0.37 68.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.886 -0.673 . . . . 34.83 113.255 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -137.26 132.81 34.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.014 0.407 . . . . 35.05 111.683 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 93' ' ' ASP . 57.6 mt -100.09 109.04 24.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 34.58 110.677 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.2 p -82.47 171.28 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 34.29 111.079 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.66 72.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 34.96 111.797 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.87 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.316 . . . . 34.58 111.623 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.22 -42.86 68.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.539 -0.3 . . . . 36.13 111.617 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.4 -44.65 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.424 -0.353 . . . . 35.27 110.963 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.521 ' HB2' HG23 ' A' ' 121' ' ' VAL . 49.1 ttt-85 -64.11 -34.06 77.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.998 -0.546 . . . . 35.48 111.665 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -65.08 -45.07 86.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 39.38 111.299 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.729 HG23 ' HA ' ' A' ' 92' ' ' PHE . 58.5 t -67.31 -40.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 39.37 111.529 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.489 ' HG3' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -64.48 -38.74 92.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.508 -0.315 . . . . 43.9 110.99 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.527 HG21 ' HG2' ' A' ' 115' ' ' LYS . 53.2 m -63.2 -36.32 83.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 40.59 110.691 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 13.2 m120 -69.28 -28.27 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.028 -0.533 . . . . 40.02 110.754 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 75.7 mt -72.93 -30.88 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 40.8 110.515 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.63 -26.92 3.13 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.866 -0.683 . . . . 42.71 112.409 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.26 107.08 17.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.807 0.336 . . . . 44.94 110.947 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.527 ' HG2' HG21 ' A' ' 110' ' ' THR . 95.9 mttt -94.39 71.15 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 44.73 110.963 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.489 HD23 ' HG3' ' A' ' 109' ' ' MET . 0.1 OUTLIER -69.43 161.81 28.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 45.52 111.971 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 121' ' ' VAL . 2.9 m -75.28 156.93 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.747 . . . . 45.1 110.831 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.72 -38.91 92.35 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.446 -0.343 . . . . 44.92 111.383 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -64.69 -39.0 92.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 44.5 111.459 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -37.48 87.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.463 -0.335 . . . . 42.83 111.337 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.521 HG23 ' HB2' ' A' ' 106' ' ' ARG . 25.1 t -69.63 -35.11 64.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 41.54 111.63 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.5 -27.62 66.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 40.56 110.361 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.28 -32.95 69.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.637 . . . . 37.74 109.738 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtp -72.04 -40.52 68.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.384 -0.825 . . . . 36.71 110.31 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.8 -47.08 92.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 37.65 111.413 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -64.02 -26.76 68.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.485 -0.325 . . . . 38.3 111.483 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.06 -39.3 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 37.8 111.277 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.68 -6.51 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.388 -0.369 . . . . 37.52 110.985 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -76.78 110.07 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 37.97 110.684 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.2 mt -99.39 -34.32 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.694 0.627 . . . . 38.18 112.694 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -86.12 -10.89 54.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.469 -0.493 . . . . 40.6 112.129 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.42 14.56 79.97 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.425 -0.893 . . . . 36.83 114.35 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -5.38 56.98 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.013 0.907 . . . . 39.56 111.665 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.13 15.63 69.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.91 -0.662 . . . . 37.94 113.523 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -141.4 173.72 11.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.835 0.317 . . . . 42.14 110.628 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.64 107.43 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.919 0.34 . . . . 39.31 111.919 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.85 178.67 8.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.479 -0.328 . . . . 40.37 110.353 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.66 -33.99 76.17 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.22 0.452 . . . . 40.21 112.22 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.29 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.348 . . . . 41.63 110.76 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.03 -24.94 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 40.39 110.642 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.88 -49.44 68.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 40.8 110.797 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.06 -30.36 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 40.43 110.869 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.63 -40.11 92.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.986 -0.552 . . . . 41.97 110.696 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tpt -79.99 -23.06 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 42.34 110.842 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.669 ' HE1' ' HA ' ' A' ' 145' ' ' MET . 0.4 OUTLIER -77.2 -17.22 58.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 43.08 111.77 -179.557 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 38.7 p -93.94 -19.51 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 38.08 110.225 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.99 169.72 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.689 -0.687 . . . . 39.29 110.567 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.353 -0.832 . . . . 40.62 111.152 179.733 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.737 0.303 . . . . 56.38 110.702 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -74.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.884 -0.598 . . . . 55.12 110.357 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp 68.07 105.95 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.908 0.755 . . . . 45.79 111.32 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.9 p -92.72 165.91 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 37.31 111.186 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 33.93 111.165 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -70.35 -33.48 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 30.24 110.716 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -62.73 -51.56 66.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 37.97 110.574 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.99 -34.9 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.051 -0.522 . . . . 32.85 111.547 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -42.64 96.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.453 . . . . 33.67 111.306 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.38 -43.41 97.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 40.98 111.49 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -67.43 -44.83 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 40.47 111.481 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.14 -38.02 78.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.17 -0.468 . . . . 40.98 111.842 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 31.6 tt0 -65.91 -45.48 81.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 45.14 110.354 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 37.39 111.492 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -65.09 -36.51 84.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.169 -0.469 . . . . 37.68 111.933 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -70.74 -34.89 72.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.295 . . . . 36.9 110.562 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 14' ' ' GLU . 46.0 mt -70.11 -34.32 72.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.19 -0.459 . . . . 40.11 110.876 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' HE2' HD12 ' A' ' 32' ' ' LEU . 6.8 m-85 -71.51 -58.44 3.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 37.29 110.676 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 88.97 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.23 -0.441 . . . . 38.11 111.409 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.02 -37.04 81.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.01 -0.541 . . . . 43.27 111.814 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.79 -10.05 44.26 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.098 -0.241 . . . . 43.9 111.398 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.99 94.42 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.271 -0.49 . . . . 40.37 113.751 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -12.06 28.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.262 0.531 . . . . 42.2 110.685 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.39 -4.84 54.81 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.722 -0.752 . . . . 40.25 113.778 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -127.15 138.1 53.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.156 0.478 . . . . 40.27 110.889 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.686 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 47.7 mt -105.65 114.55 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 39.08 110.827 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.4 p -90.03 179.72 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 37.22 110.585 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.4 p -68.84 -25.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 39.63 110.817 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -71.11 -42.09 69.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 43.2 110.85 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -74.34 -45.17 48.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 37.46 110.878 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD12 ' HE2' ' A' ' 19' ' ' PHE . 30.6 tp -62.07 -40.35 95.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 37.66 110.872 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.26 -29.62 68.25 Favored Glycine 0 C--O 1.227 -0.32 0 CA-C-N 115.809 -0.632 . . . . 35.01 113.349 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 m -64.79 -41.11 96.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.717 0.294 . . . . 33.9 111.71 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 47.0 t -69.24 -43.23 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 35.22 111.39 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.3 mtt -70.78 -30.11 66.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 43.42 111.711 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 6.2 tpp180 -69.86 -34.32 73.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 38.3 111.124 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 83.6 p -79.58 -16.12 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 39.58 111.233 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD21 HD21 ' A' ' 112' ' ' LEU . 51.1 mt -88.76 8.03 30.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.454 -0.339 . . . . 41.43 111.36 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.51 27.33 30.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 41.29 113.356 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.6 mt-30 -122.92 159.8 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.918 -0.401 . . . . 44.5 109.918 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -132.43 74.06 76.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 112.033 0.382 . . . . 42.02 112.033 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.0 131.87 6.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.504 2.136 . . . . 37.52 111.747 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -82.44 174.16 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 35.57 111.764 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -54.76 -45.23 74.18 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.65 -0.704 . . . . 38.35 111.771 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.49 80.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.395 -0.366 . . . . 33.09 111.666 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.89 -45.3 71.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 35.62 110.874 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.87 -34.81 79.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.821 -0.627 . . . . 35.26 111.69 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -65.6 -42.45 91.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 38.06 111.098 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -58.91 -37.24 76.18 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.372 -0.377 . . . . 34.97 111.606 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.9 mtt -65.31 -39.4 92.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 38.87 111.002 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 HD11 ' A' ' 63' ' ' ILE . 40.3 mt -70.37 -41.99 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.821 -0.627 . . . . 39.79 111.655 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 56' ' ' ASP . 88.6 m-20 -64.28 -29.91 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 37.82 112.052 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.77 -34.27 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.504 -0.316 . . . . 45.46 111.755 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 71' ' ' MET . 33.0 m -109.56 8.92 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.985 0.365 . . . . 37.34 111.985 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' HB2' ' HA ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -73.97 92.69 2.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 40.95 111.206 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.4 -46.22 64.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.966 -0.561 . . . . 43.37 111.315 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -9.5 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.419 -0.355 . . . . 44.76 111.366 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.84 34.88 83.78 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.825 -0.703 . . . . 43.52 113.518 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -79.38 -5.85 55.5 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.113 0.457 . . . . 42.55 111.773 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.98 -10.24 72.17 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.815 -0.707 . . . . 39.46 113.876 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.5 p -127.42 172.62 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.142 0.471 . . . . 37.42 111.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.686 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 32.0 mt -100.41 112.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 38.58 111.135 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.13 -175.35 5.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.4 -0.364 . . . . 42.25 110.547 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 60.6 t80 -63.81 -54.32 42.57 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.505 -0.316 . . . . 37.01 111.783 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 31.5 Cg_endo -63.92 -32.51 65.77 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.144 1.896 . . . . 34.65 112.493 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -68.46 -31.7 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 36.3 110.989 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -74.37 -34.34 63.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 36.39 110.842 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 65' ' ' PHE . 25.1 mt -61.6 -40.68 95.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.186 -0.461 . . . . 34.57 110.298 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.421 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 24.8 m -68.53 -39.88 80.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.645 -0.707 . . . . 38.86 110.957 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.752 ' HB2' HG11 ' A' ' 55' ' ' VAL . 45.8 ttm -59.64 -45.23 92.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 44.1 111.575 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtp -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 40.68 111.448 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.69 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 39.77 111.443 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 78' ' ' ASP . 97.2 mtt180 -80.59 -32.49 36.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.328 . . . . 45.42 111.747 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -92.88 -45.41 8.0 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.412 0.523 . . . . 51.43 112.412 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.4 mmm -86.0 -6.16 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.003 0.742 . . . . 61.42 113.003 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -145.0 57.73 1.28 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.921 -0.312 . . . . 59.03 111.251 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.578 ' HB3' ' O ' ' A' ' 74' ' ' ARG . 33.4 t70 178.42 -57.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 61.1 109.774 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.9 p -99.87 -171.82 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.674 -0.694 . . . . 62.06 110.686 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 70.0 89.97 0.1 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.786 0.679 . . . . 63.19 111.098 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.9 m -143.25 -54.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 60.03 110.195 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.49 138.94 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.763 -0.653 . . . . 57.85 109.753 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.22 12.06 8.3 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.61 0.569 . . . . 55.18 111.255 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -122.38 -27.62 4.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.18 -0.464 . . . . 52.47 110.22 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.6 mt -79.42 -27.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.868 -0.605 . . . . 49.66 109.586 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 86' ' ' ARG . 24.5 tpt180 -68.06 -31.94 71.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.121 -0.945 . . . . 50.11 110.318 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.83 -37.98 76.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.946 -0.57 . . . . 45.58 110.193 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.03 -32.68 67.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 43.21 110.744 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -66.62 -35.35 79.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.89 -0.595 . . . . 41.52 110.356 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 90' ' ' ARG . 37.2 ttm180 -68.47 -22.42 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.62 -0.718 . . . . 40.8 111.364 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.0 t -70.78 -40.53 76.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.261 -0.427 . . . . 39.41 110.714 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.751 ' HA ' HG21 ' A' ' 108' ' ' VAL . 99.2 m-85 -78.14 -53.73 7.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.261 0.553 . . . . 38.44 109.628 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.458 ' HB2' HG12 ' A' ' 100' ' ' ILE . 46.8 t0 -87.53 84.5 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 39.57 109.984 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.29 -46.02 90.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.27 0.841 . . . . 38.14 113.27 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -10.5 59.87 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.347 0.499 . . . . 37.52 112.347 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 57.71 49.99 69.34 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 121.134 -0.555 . . . . 36.57 114.074 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -94.66 -3.45 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.458 0.629 . . . . 35.32 110.82 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.17 0.37 68.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.886 -0.673 . . . . 34.83 113.255 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -137.26 132.81 34.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.014 0.407 . . . . 35.05 111.683 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 93' ' ' ASP . 57.6 mt -100.09 109.04 24.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 34.58 110.677 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.2 p -82.47 171.28 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 34.29 111.079 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.66 72.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 34.96 111.797 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.87 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.316 . . . . 34.58 111.623 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.22 -42.86 68.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.539 -0.3 . . . . 36.13 111.617 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.4 -44.65 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.424 -0.353 . . . . 35.27 110.963 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HB2' HG21 ' A' ' 121' ' ' VAL . 49.1 ttt-85 -64.11 -34.06 77.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.998 -0.546 . . . . 35.48 111.665 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -65.08 -45.07 86.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 39.38 111.299 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.751 HG21 ' HA ' ' A' ' 92' ' ' PHE . 58.5 t -67.31 -40.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 39.37 111.529 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.493 ' HG3' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -64.48 -38.74 92.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.508 -0.315 . . . . 43.9 110.99 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 115' ' ' LYS . 53.2 m -63.2 -36.32 83.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 40.59 110.691 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 92.4 m-20 -69.28 -28.27 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.028 -0.533 . . . . 40.02 110.754 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 75.7 mt -72.93 -30.88 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 40.8 110.515 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.63 -26.92 3.13 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.866 -0.683 . . . . 42.71 112.409 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.26 107.08 17.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.807 0.336 . . . . 44.94 110.947 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 110' ' ' THR . 95.9 mttt -94.39 71.15 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 44.73 110.963 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 109' ' ' MET . 0.1 OUTLIER -69.43 161.81 28.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 45.52 111.971 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.9 m -75.28 156.93 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.747 . . . . 45.1 110.831 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.72 -38.91 92.35 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.446 -0.343 . . . . 44.92 111.383 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -64.69 -39.0 92.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 44.5 111.459 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -37.48 87.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.463 -0.335 . . . . 42.83 111.337 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 106' ' ' ARG . 25.1 t -69.63 -35.11 64.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 41.54 111.63 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.5 -27.62 66.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 40.56 110.361 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.28 -32.95 69.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.637 . . . . 37.74 109.738 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtp -72.04 -40.52 68.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.384 -0.825 . . . . 36.71 110.31 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.8 -47.08 92.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 37.65 111.413 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -64.02 -26.76 68.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.485 -0.325 . . . . 38.3 111.483 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.06 -39.3 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 37.8 111.277 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.68 -6.51 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.388 -0.369 . . . . 37.52 110.985 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -76.78 110.07 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 37.97 110.684 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.2 mt -99.39 -34.32 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.694 0.627 . . . . 38.18 112.694 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -86.12 -10.89 54.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.469 -0.493 . . . . 40.6 112.129 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.42 14.56 79.97 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.425 -0.893 . . . . 36.83 114.35 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -5.38 56.98 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.013 0.907 . . . . 39.56 111.665 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.13 15.63 69.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.91 -0.662 . . . . 37.94 113.523 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -141.4 173.72 11.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.835 0.317 . . . . 42.14 110.628 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.64 107.43 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.919 0.34 . . . . 39.31 111.919 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.85 178.67 8.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.479 -0.328 . . . . 40.37 110.353 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.66 -33.99 76.17 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.22 0.452 . . . . 40.21 112.22 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.29 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.348 . . . . 41.63 110.76 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.03 -24.94 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 40.39 110.642 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.88 -49.44 68.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 40.8 110.797 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.06 -30.36 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 40.43 110.869 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -65.63 -40.11 92.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.986 -0.552 . . . . 41.97 110.696 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tpt -79.99 -23.06 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 42.34 110.842 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.2 -17.22 58.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 43.08 111.77 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 38.7 p -93.94 -19.51 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 38.08 110.225 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.99 169.72 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.689 -0.687 . . . . 39.29 110.567 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.353 -0.832 . . . . 40.62 111.152 179.733 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 999' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.737 0.303 . . . . 56.38 110.702 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.7 -74.02 0.01 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.884 -0.598 . . . . 55.12 110.357 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp 68.07 105.95 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.908 0.755 . . . . 45.79 111.32 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.9 p -92.72 165.91 12.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 37.31 111.186 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.38 -34.25 75.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 33.93 111.165 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -70.35 -33.48 71.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 30.24 110.716 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -62.73 -51.56 66.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 37.97 110.574 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.99 -34.9 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.051 -0.522 . . . . 32.85 111.547 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.29 -42.64 96.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.202 -0.453 . . . . 33.67 111.306 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -63.38 -43.41 97.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.074 -0.512 . . . . 40.98 111.49 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -67.43 -44.83 77.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 40.47 111.481 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.14 -38.02 78.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.17 -0.468 . . . . 40.98 111.842 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 31.6 tt0 -65.91 -45.48 81.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.088 0.471 . . . . 45.14 110.354 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.28 -40.51 93.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.709 -0.678 . . . . 37.39 111.492 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -65.09 -36.51 84.54 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.169 -0.469 . . . . 37.68 111.933 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.4 p -70.74 -34.89 72.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.55 -0.295 . . . . 36.9 110.562 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 14' ' ' GLU . 46.0 mt -70.11 -34.32 72.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.19 -0.459 . . . . 40.11 110.876 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' HE2' HD12 ' A' ' 32' ' ' LEU . 6.8 m-85 -71.51 -58.44 3.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 37.29 110.676 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.53 88.97 0.51 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.23 -0.441 . . . . 38.11 111.409 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -61.02 -37.04 81.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.01 -0.541 . . . . 43.27 111.814 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.79 -10.05 44.26 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.098 -0.241 . . . . 43.9 111.398 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.8 43.99 94.42 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.271 -0.49 . . . . 40.37 113.751 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.58 -12.06 28.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.262 0.531 . . . . 42.2 110.685 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.39 -4.84 54.81 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.722 -0.752 . . . . 40.25 113.778 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -127.15 138.1 53.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.156 0.478 . . . . 40.27 110.889 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.686 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 47.7 mt -105.65 114.55 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 39.08 110.827 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.4 p -90.03 179.72 5.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.953 -0.567 . . . . 37.22 110.585 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 50.4 p -68.84 -25.99 64.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 39.63 110.817 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -71.11 -42.09 69.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.024 -0.535 . . . . 43.2 110.85 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -74.34 -45.17 48.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 37.46 110.878 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD12 ' HE2' ' A' ' 19' ' ' PHE . 30.6 tp -62.07 -40.35 95.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.693 -0.685 . . . . 37.66 110.872 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' ' 37' ' ' ARG . . . -71.26 -29.62 68.25 Favored Glycine 0 C--O 1.227 -0.32 0 CA-C-N 115.809 -0.632 . . . . 35.01 113.349 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 m -64.79 -41.11 96.07 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.717 0.294 . . . . 33.9 111.71 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 47.0 t -69.24 -43.23 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 35.22 111.39 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.3 mtt -70.78 -30.11 66.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 43.42 111.711 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 6.2 tpp180 -69.86 -34.32 73.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 38.3 111.124 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.469 ' HB2' ' HB3' ' A' ' 111' ' ' ASN . 83.6 p -79.58 -16.12 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 39.58 111.233 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD21 HD21 ' A' ' 112' ' ' LEU . 51.1 mt -88.76 8.03 30.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.454 -0.339 . . . . 41.43 111.36 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.51 27.33 30.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 41.29 113.356 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.6 mt-30 -122.92 159.8 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.918 -0.401 . . . . 44.5 109.918 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -132.43 74.06 76.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 N-CA-C 112.033 0.382 . . . . 42.02 112.033 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.0 131.87 6.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.504 2.136 . . . . 37.52 111.747 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -82.44 174.16 11.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.785 0.326 . . . . 35.57 111.764 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -54.76 -45.23 74.18 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.65 -0.704 . . . . 38.35 111.771 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.54 -35.49 80.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.395 -0.366 . . . . 33.09 111.666 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.89 -45.3 71.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 35.62 110.874 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.87 -34.81 79.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.821 -0.627 . . . . 35.26 111.69 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -65.6 -42.45 91.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.311 -0.404 . . . . 38.06 111.098 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -58.91 -37.24 76.18 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.372 -0.377 . . . . 34.97 111.606 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.9 mtt -65.31 -39.4 92.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 38.87 111.002 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 HD11 ' A' ' 63' ' ' ILE . 40.3 mt -70.37 -41.99 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.821 -0.627 . . . . 39.79 111.655 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.412 ' HA ' ' HB2' ' A' ' 56' ' ' ASP . 88.6 m-20 -64.28 -29.91 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.261 -0.427 . . . . 37.82 112.052 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.77 -34.27 76.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.504 -0.316 . . . . 45.46 111.755 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 71' ' ' MET . 33.0 m -109.56 8.92 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 111.985 0.365 . . . . 37.34 111.985 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.412 ' HB2' ' HA ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -73.97 92.69 2.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 40.95 111.206 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.4 -46.22 64.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.966 -0.561 . . . . 43.37 111.315 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.14 -9.5 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.419 -0.355 . . . . 44.76 111.366 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.84 34.88 83.78 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.825 -0.703 . . . . 43.52 113.518 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -79.38 -5.85 55.5 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 117.113 0.457 . . . . 42.55 111.773 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.98 -10.24 72.17 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.815 -0.707 . . . . 39.46 113.876 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.5 p -127.42 172.62 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 117.142 0.471 . . . . 37.42 111.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.686 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 32.0 mt -100.41 112.03 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 38.58 111.135 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -84.13 -175.35 5.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.4 -0.364 . . . . 42.25 110.547 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 60.6 t80 -63.81 -54.32 42.57 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.505 -0.316 . . . . 37.01 111.783 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 31.5 Cg_endo -63.92 -32.51 65.77 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.144 1.896 . . . . 34.65 112.493 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -68.46 -31.7 71.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 36.3 110.989 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -74.37 -34.34 63.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 36.39 110.842 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 65' ' ' PHE . 25.1 mt -61.6 -40.68 95.67 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.186 -0.461 . . . . 34.57 110.298 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.421 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 24.8 m -68.53 -39.88 80.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.645 -0.707 . . . . 38.86 110.957 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.752 ' HB2' HG11 ' A' ' 55' ' ' VAL . 45.8 ttm -59.64 -45.23 92.62 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 44.1 111.575 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 mtp -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 40.68 111.448 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.27 -22.69 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 39.77 111.443 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' A' ' 78' ' ' ASP . 97.2 mtt180 -80.59 -32.49 36.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.477 -0.328 . . . . 45.42 111.747 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -92.88 -45.41 8.0 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.412 0.523 . . . . 51.43 112.412 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.4 mmm -86.0 -6.16 59.09 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 113.003 0.742 . . . . 61.42 113.003 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -145.0 57.73 1.28 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.921 -0.312 . . . . 59.03 111.251 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.578 ' HB3' ' O ' ' A' ' 74' ' ' ARG . 33.4 t70 178.42 -57.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 61.1 109.774 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.9 p -99.87 -171.82 2.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.674 -0.694 . . . . 62.06 110.686 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 70.0 89.97 0.1 Allowed 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.786 0.679 . . . . 63.19 111.098 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.9 m -143.25 -54.42 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.836 -0.62 . . . . 60.03 110.195 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -143.49 138.94 29.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.763 -0.653 . . . . 57.85 109.753 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.22 12.06 8.3 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.61 0.569 . . . . 55.18 111.255 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -122.38 -27.62 4.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.18 -0.464 . . . . 52.47 110.22 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.6 mt -79.42 -27.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.868 -0.605 . . . . 49.66 109.586 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 86' ' ' ARG . 24.5 tpt180 -68.06 -31.94 71.93 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.121 -0.945 . . . . 50.11 110.318 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -69.83 -37.98 76.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.946 -0.57 . . . . 45.58 110.193 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.03 -32.68 67.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 43.21 110.744 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -66.62 -35.35 79.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.89 -0.595 . . . . 41.52 110.356 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 90' ' ' ARG . 37.2 ttm180 -68.47 -22.42 64.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.62 -0.718 . . . . 40.8 111.364 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.0 t -70.78 -40.53 76.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.261 -0.427 . . . . 39.41 110.714 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.751 ' HA ' HG21 ' A' ' 108' ' ' VAL . 99.2 m-85 -78.14 -53.73 7.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.261 0.553 . . . . 38.44 109.628 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.458 ' HB2' HG12 ' A' ' 100' ' ' ILE . 46.8 t0 -87.53 84.5 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.301 -0.863 . . . . 39.57 109.984 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -62.29 -46.02 90.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.27 0.841 . . . . 38.14 113.27 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -10.5 59.87 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 112.347 0.499 . . . . 37.52 112.347 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 57.71 49.99 69.34 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 121.134 -0.555 . . . . 36.57 114.074 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -94.66 -3.45 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 117.458 0.629 . . . . 35.32 110.82 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.17 0.37 68.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.886 -0.673 . . . . 34.83 113.255 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -137.26 132.81 34.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 117.014 0.407 . . . . 35.05 111.683 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 93' ' ' ASP . 57.6 mt -100.09 109.04 24.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 34.58 110.677 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 91.2 p -82.47 171.28 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 34.29 111.079 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.66 72.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.878 -0.601 . . . . 34.96 111.797 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.87 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.506 -0.316 . . . . 34.58 111.623 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.22 -42.86 68.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.539 -0.3 . . . . 36.13 111.617 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.8 tp -63.4 -44.65 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.424 -0.353 . . . . 35.27 110.963 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HB2' HG21 ' A' ' 121' ' ' VAL . 49.1 ttt-85 -64.11 -34.06 77.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.998 -0.546 . . . . 35.48 111.665 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -65.08 -45.07 86.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 39.38 111.299 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.751 HG21 ' HA ' ' A' ' 92' ' ' PHE . 58.5 t -67.31 -40.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 39.37 111.529 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.493 ' HG3' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -64.48 -38.74 92.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.508 -0.315 . . . . 43.9 110.99 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.539 HG23 ' HG2' ' A' ' 115' ' ' LYS . 53.2 m -63.2 -36.32 83.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 40.59 110.691 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 13.2 m120 -69.28 -28.27 66.15 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.028 -0.533 . . . . 40.02 110.754 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 108' ' ' VAL . 75.7 mt -72.93 -30.88 64.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.898 -0.592 . . . . 40.8 110.515 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.63 -26.92 3.13 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.866 -0.683 . . . . 42.71 112.409 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.26 107.08 17.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.807 0.336 . . . . 44.94 110.947 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 110' ' ' THR . 95.9 mttt -94.39 71.15 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 44.73 110.963 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 109' ' ' MET . 0.1 OUTLIER -69.43 161.81 28.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.804 -0.635 . . . . 45.52 111.971 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.9 m -75.28 156.93 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.558 -0.747 . . . . 45.1 110.831 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.72 -38.91 92.35 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.446 -0.343 . . . . 44.92 111.383 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -64.69 -39.0 92.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 44.5 111.459 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.08 -37.48 87.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.463 -0.335 . . . . 42.83 111.337 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 106' ' ' ARG . 25.1 t -69.63 -35.11 64.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 41.54 111.63 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.5 -27.62 66.28 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.891 0.377 . . . . 40.56 110.361 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.28 -32.95 69.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.8 -0.637 . . . . 37.74 109.738 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 76.0 mtp -72.04 -40.52 68.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.384 -0.825 . . . . 36.71 110.31 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.8 -47.08 92.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.808 -0.633 . . . . 37.65 111.413 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 57.5 mtt180 -64.02 -26.76 68.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.485 -0.325 . . . . 38.3 111.483 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.06 -39.3 83.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 37.8 111.277 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -94.68 -6.51 43.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.388 -0.369 . . . . 37.52 110.985 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -76.78 110.07 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.929 -0.578 . . . . 37.97 110.684 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.2 mt -99.39 -34.32 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.694 0.627 . . . . 38.18 112.694 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -86.12 -10.89 54.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.469 -0.493 . . . . 40.6 112.129 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.42 14.56 79.97 Favored Glycine 0 CA--C 1.522 0.47 0 C-N-CA 120.425 -0.893 . . . . 36.83 114.35 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -5.38 56.98 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.013 0.907 . . . . 39.56 111.665 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.13 15.63 69.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.91 -0.662 . . . . 37.94 113.523 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -141.4 173.72 11.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.835 0.317 . . . . 42.14 110.628 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.5 t -124.64 107.43 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.919 0.34 . . . . 39.31 111.919 -179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.85 178.67 8.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.479 -0.328 . . . . 40.37 110.353 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -62.66 -33.99 76.17 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 112.22 0.452 . . . . 40.21 112.22 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.29 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.348 . . . . 41.63 110.76 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -79.03 -24.94 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 40.39 110.642 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -65.88 -49.44 68.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 40.8 110.797 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.06 -30.36 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 40.43 110.869 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.63 -40.11 92.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.986 -0.552 . . . . 41.97 110.696 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tpt -79.99 -23.06 41.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.168 -0.469 . . . . 42.34 110.842 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.2 -17.22 58.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 43.08 111.77 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 38.7 p -93.94 -19.51 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 38.08 110.225 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.99 169.72 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.689 -0.687 . . . . 39.29 110.567 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.353 -0.832 . . . . 40.62 111.152 179.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_